SCHEMBL94186

SCHEMBL94186

COc1ccc(N)c(NCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 3/20 0.40
RAD52 P43351 3/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL29634740 1.00 TNF (0.43) TNFKDM4EMAPK1HTTRAD52
Hydrochloric Acid SCHEMBL7591939 0.98 TNF (0.43) TNFKDM4EMAPK1HTTRAD52
SCHEMBL6925243 0.90 TNF (0.40) TNFKDM4EMAPK1HTTRAD52
SCHEMBL6669525 0.88 TNF (0.36) TNFKDM4EMAPK1HTTRAD52
SCHEMBL12046243 0.85 APP (0.45) KDM4EALDH1A1HSD17B10PDE5AHPGD
SCHEMBL198171 0.84 LDHA (0.43) KDM4EMAPK1HTTUSP2TSHR
SCHEMBL5833312 0.84 MTNR1A (0.37) TNFUSP2ALDH1A1HSD17B10MTNR1A
SCHEMBL29393618 0.84 LDHA (0.43) KDM4EMAPK1HTTUSP2TSHR
SCHEMBL2270023 0.82 RAD52 (0.46) MAPK1RAD52ALDH1A1POLBKMT2A
SCHEMBL2272035 0.81 HRH3 (0.43) RAD52POLBPDE5APDE6A

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 758 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP claimed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP claimed
US-7066968-B2 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-06-27 US claimed
US-7041142-B2 Two step hair coloring compositions delivering deeper, long-lasting color UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-05-09 US claimed
US-20060075580-A1 TWO STEP HAIR COLORING COMPOSITIONS DELIVERING DEEPER, LONG-LASTING COLOR UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-13 US claimed
EP-1586303-A1 Dye composition comprising at least one diaminopyrazole as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP claimed
US-20050193501-A1 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-09-08 US claimed
US-6821302-B2 Oxidation color dye comprising a metal cyanate, free of ammonia, without the pungent odor of ammonia UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-11-23 US claimed
WO-2003055458-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 WO claimed
WO-2003055457-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 WO claimed
US-20030074748-A1 Method and composition for the gradual permanent coloring of hair UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-24 US claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP claimed
WO-2002074266-A2 METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2002-09-26 WO claimed
CN-1275071-A Dyeing composition containing pyrazolo-[1,5-alpha]-pyrimidine as oxidation base and pyridine coupling agent, and dyeing method OREAL (FR) 2000-11-29 CN claimed
EP-1030648-A1 DYEING COMPOSITION CONTAINING A PYRAZOLO- 1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A PYRIDINE COUPLING AGENT, AND DYEING METHOD L'OREAL (FR) 2000-08-30 EP claimed
US-6074438-A AN OXIDATIVE HAIR DYE MIXTURE COMPRISING PRIMARY INTERMEDIATE AND A COUPLER FORMING AN OXIDATIVE HAIR DYE IN THE PRESENCE OF AN OXIDIZING AGENT BRISTOL-MYERS SQUIBB CO. (US) 2000-06-13 US claimed
WO-1999066894-A1 DYEING COMPOSITION CONTAINING A PYRAZOLO-[1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A PYRIDINE COUPLING AGENT, AND DYEING METHOD L'OREAL (FR) 1999-12-29 WO claimed