SCHEMBL5178906

SCHEMBL5178906

O=S(=O)(O)c1ccc(N=Nc2cc(O)cc3ccc(S(=O)(=O)O)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP1A2 P05177 3/20 0.51
▸ ATIC P31939 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ PTPRC P08575 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ PTPRJ Q12913 1/20 0.47
▸ DUSP26 Q9BV47 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.45
▸ SENP2 Q9HC62 3/20 0.45
▸ SUMO2 P61956 2/20 0.45
▸ SUMO1 P63165 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27204585 0.76 POLB (0.55) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL9614749 0.75 ENPP2 (0.53) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL10897349 0.75 CYP1A2 (0.59) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL8594512 0.75 CD40 (0.54) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL8594508 0.75 CD40 (0.54) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL10424165 0.75 ALDH1A1 (0.54) CYP2C9HSD17B10CYP2C19CYP1A2PTPRC
SCHEMBL31255636 0.75 ALDH1A1 (0.54) CYP2C9HSD17B10CYP2C19CYP1A2PTPRC
SCHEMBL10812260 0.75 NT5E (0.60) CYP2C9HSD17B10CYP2C19CYP1A2PTPN11
SCHEMBL14418343 0.74 CYP1A2 (0.85) CYP2C9HSD17B10CYP2C19CYP1A2ATIC
SCHEMBL112146 0.74 CYP1A2 (0.85) CYP2C9HSD17B10CYP2C19CYP1A2ATIC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047390-B1 DUAL COMPONENT ANTIPLAQUE DENTIFRICE COMPOSITION COLGATE PALMOLIVE CO (US) 2007-03-07 — — EP disclosed
EP-1553918-A1 DUAL COMPONENT BIS-BIGUANIDE CONTAINING DENTIFRICE OF IMPROVED STABILITY Colgate-Palmolive Company (US) 2005-07-20 — — EP disclosed
WO-2004054530-A1 METHOD FOR OPTIMIZING FLUORIDE UPTAKE OF TEETH BY APPLYING A LIQUID DENTIFRICE COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2004-07-01 — — WO disclosed
US-20040115140-A1 Liquid dentifrice compositions of optimized fluoride uptake COLGATE-PALMOLIVE COMPANY 2004-06-17 — — US disclosed
EP-1428518-A2 Method for optimizing fluoride uptake of teeth by applying a liquid dentifrice composition Colgate-Palmolive Company (US) 2004-06-16 — — EP disclosed
EP-1406578-A1 CATIONIC ANTIBACTERIAL DENTIFRICE EXHIBITING SUPERIOR FOAMING PROPERTIES Colgate-Palmolive Company (US) 2004-04-14 — — EP disclosed
WO-2004010963-A1 DUAL COMPONENT BIS-BIGUANIDE CONTAINING DENTIFRICE OF IMPROVED STABILITY COLGATE-PALMOLIVE COMPANY (US) 2004-02-05 — — WO disclosed
US-6613310-B1 First component is an extrudable gel containing: vehicle, cellulose polymer thickener, and antibacterial agent; the second component is an extrudable paste containing a silica abrasive; being physically separated from each until dispensed COLGATE PALMOLIVE COMPANY 2003-09-02 — — US disclosed
WO-2002089755-A1 CATIONIC ANTIBACTERIAL DENTIFRICE EXHIBITING SUPERIOR FOAMING PROPERTIES COLGATE-PALMOLIVE COMPANY (US) 2002-11-14 — — WO disclosed
US-6447758-B1 COMBINING CATIONIC ANTIBACTERIAL AGENT AND ANIONIC SURFACTANT WHEN APPLYING TO TEETH; SUPERIOR FOAMING PROPERTIES COLGATE PALMOLIVE COMPANY 2002-09-10 — — US disclosed
EP-1061893-B1 BIS-BIGUANIDE DENTIFRICE EXHIBITING REDUCED STAINING COLGATE PALMOLIVE CO (US) 2002-06-12 — — EP disclosed
EP-1119342-A1 DUAL COMPONENT ANTIPLAQUE AND TOOTH WHITENING COMPOSITION Colgate-Palmolive Company (US) 2001-08-01 — — EP disclosed
EP-1061893-A1 BIS-BIGUANIDE ANTIPLAQUE DENTIFRICE EXHIBITING REDUCED STAINING Colgate-Palmolive Company (US) 2000-12-27 — — EP disclosed
US-6110446-A DENTIFRICE WITH ABRASIVE, NONIONIC SURFACTANT AND BACETERICIDE COLGATE PALMOLIVE COMPANY (US) 2000-08-29 — — US disclosed
US-6106812-A PEROXIDE IN VEHICLE THICKENED WITH WATER INSOLUBLE PARTICLES AND NON-ALKYLENE OXIDE THICKENER; DENTIFRICES COLGATE-PALMOLIVE COMPANY 2000-08-22 — — US disclosed
WO-2000019971-A1 DUAL COMPONENT ANTIPLAQUE AND TOOTH WHITENING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2000-04-13 — — WO disclosed
US-5958381-A DENTAL COMPOSITION IN WHICH FIRST COMPONENT IS EXTRUDABLE GEL CONTAINING BIS-BIGUANIDE ANTIBACTERIAL AGENT, SECOND COMPONENT IS EXTRUDABLE PASTE CONTAINING INCOMPATIBLE ABRASIVE, BEING SYNCHRONOUSLY EXTRUDABLE FOR APPLICATION TO TEETH COLGATE PALMOLIVE COMPANY (US) 1999-09-28 — — US disclosed
WO-1999045898-A1 BIS-BIGUANIDE ANTIPLAQUE DENTIFRICE EXHIBITING REDUCED STAINING COLGATE-PALMOLIVE COMPANY (US) 1999-09-16 — — WO disclosed
US-5843406-A Dual components antiplaque dentifrice compositions COLGATE PALMOLIVE COMPANY (US) 1998-12-01 — — US disclosed
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