SCHEMBL7213018

SCHEMBL7213018

O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.63
KCNK9 Q9NPC2 3/20 0.63
PTGS1 P23219 1/20 0.59
F2R P25116 1/20 0.56
LMNA P02545 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
P2RX1 P51575 4/20 0.54
ALDH1A1 P00352 2/20 0.53
P2RX7 Q99572 2/20 0.52
TERT O14746 1/20 0.51
P2RX4 Q99571 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
GAA P10253 2/20 0.50

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
SCHEMBL5332281 0.87 KCNK3 (0.75) KCNK3KCNK9PTGS1F2RLMNA
SCHEMBL28580133 0.84 MEN1 (0.56) KCNK3KCNK9F2RLMNAMEN1
Octanal SCHEMBL27977307 0.83 F2R (0.51) KCNK3KCNK9PTGS1F2RMEN1
SCHEMBL22720172 0.83 PTGS1 (0.66) KCNK3KCNK9PTGS1F2RLMNA
SCHEMBL7067826 0.83 MEN1 (0.71) LMNAMEN1KMT2AHPGDKDM4E
Hydrochloric Acid SCHEMBL28559566 0.82 MEN1 (0.53) KCNK3KCNK9LMNAMEN1KMT2A
SCHEMBL11583305 0.80 KCNK3 (0.58) KCNK3KCNK9PTGS1F2RLMNA
SCHEMBL11862540 0.80 STK39 (0.58) KCNK3KCNK9KDM4EP2RX1P2RX7
SCHEMBL9343198 0.79 KMT2A (0.66) F2RLMNAMEN1KMT2AHPGD
SCHEMBL845143 0.78 TERT (0.80) LMNAMEN1KMT2AHPGDKDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101543243-A Special nano-antibacterial fresh-keeping film for papayas, and manufacturing method thereof KAI YU 2009-09-30 CN claimed
CN-101543243-B Special nano-antibacterial fresh-keeping film for papayas, and manufacturing method thereof KAI YU 2012-08-22 CN disclosed
CN-101543243-A Special nano-antibacterial fresh-keeping film for papayas, and manufacturing method thereof KAI YU 2009-09-30 CN disclosed
EP-1326580-A2 TOOTH WHITENING COMPOSITION AND METHOD EMPLOYING DICARBOXYLIC ACID WHITENING AGENT WARNER-LAMBERT COMPANY (US) 2003-07-16 EP disclosed
WO-2002030378-A2 TOOTH WHITENING COMPOSITION AND METHOD EMPLOYING DICARBOXYLIC ACID WHITENING AGENT WARNER-LAMBERT COMPANY LLC (US) 2002-04-18 WO disclosed
EP-1071324-A1 BLOOMING TYPE GERMICIDAL HARD-SURFACE CLEANERS Reckitt Benckiser Inc. (US) 2001-01-31 EP disclosed
WO-1999052361-A1 BLOOMING TYPE GERMICIDAL HARD-SURFACE CLEANERS RECKITT BENCKISER INC. (US) 1999-10-21 WO disclosed
EP-0549663-A4 1994-02-16 EP disclosed
EP-0549663-A1 COLOR CHANGE MOUTHRINSE. BEECHAM INC (US) 1993-07-07 EP disclosed
WO-1992004007-A1 COLOR CHANGE MOUTHRINSE BEECHAM, INCORPORATED (US) 1992-03-19 WO disclosed
US-4500339-A Adherent controlled release microbiocides containing hydrolyzable silanes YOUNG ROBERT W 1985-02-19 US disclosed
US-4500337-A Adherent controlled release microbiocides containing hydrolyzable silanes and organic titanium compounds YOUNG ROBERT W 1985-02-19 US disclosed
US-4482759-A Fungicidally active benzhydrol derivatives DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
US-4394371-A ALKALI METAL MONOFLUOROPHOSPHATE, ALKALINE EARTH METAL ORTHOPHOSPHATE, SODDIUM TRIMETAPHOSPHATE AND PHYTIC ACID STABILIZER COLGATE-PALMOLIVE COMPANY (US) 1983-07-19 US disclosed
US-4324799-A Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-3906034-A Trifluoromethyl-salicylanilides HOECHST AG 1975-09-16 US disclosed