SCHEMBL7717845

SCHEMBL7717845

CCSc1cc2[nH]c(=O)ccn2n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CRBN Q96SW2 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL24184143 0.76 CRBN (0.35) CRBNHSD17B10NPC1RAB9APKM
SCHEMBL2266514 0.74
SCHEMBL7717839 0.74 NPC1 (0.50) CYP1A2CRBNHSD17B10NPC1RAB9A
SCHEMBL2269416 0.73 ALDH1A1 (0.36) CYP1A2ALDH1A1KDM4E
SCHEMBL7715691 0.72 HPGD (0.41) CYP1A2HSD17B10NPC1RAB9AGAA
SCHEMBL21929908 0.71 CRBN (0.36) CRBNNPC1RAB9AKMT2APKM
SCHEMBL15021064 0.71 GPR84 (0.41) KMT2AGPR84
SCHEMBL31001777 0.70 CRBN (0.34) CRBNNPC1RAB9A
SCHEMBL2271845 0.70 ALDH1A1 (0.38) HSD17B10NPC1RAB9AKMT2AALDH1A1
SCHEMBL24274526 0.69 ADORA3 (0.46) CYP1A2NPC1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US disclosed