SCHEMBL6068515

SCHEMBL6068515

COCCCn1ncc(N)c1N(C)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
APAF1 O14727 1/20 0.31
USP2 O75604 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL6068507 0.76 TLR7 (0.31) ALDH1A1LMNA
SCHEMBL6068476 0.75 TLR7 (0.31) ALDH1A1
SCHEMBL6068464 0.75 KMO (0.35) MAPK1OPRM1OPRL1LMNA
SCHEMBL6068794 0.74 KCNH2 (0.33) NR3C1
SCHEMBL5421688 0.73 ALDH1A1 (0.39) MAPK1OPRM1KDM4EALDH1A1GLA
SCHEMBL6068517 0.72 MAPK1 (0.35) MAPK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL6068784 0.72 PTGIR (0.38)
SCHEMBL6068801 0.71 PTGIR (0.40)
SCHEMBL15651733 0.71 ALDH1A1 (0.35) ALDH1A1CASP1CASP7HSD17B10LMNA
SCHEMBL29314129 0.71 ALDH1A1 (0.38) MAPK1OPRM1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed