SCHEMBL7572900

SCHEMBL7572900

O=C(O)CNc1ccc2cn[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP2D6 P10635 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2C19 P33261 2/20 0.55
PHLPP2 Q6ZVD8 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK3 Q00526 1/20 0.55
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
CLK2 P49760 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52

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
SCHEMBL30725947 0.80 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL1548213 0.80 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7571372 0.78 INSR (0.58) INSRIGF1RALDH1A1CYP1A2CYP3A4
SCHEMBL7571488 0.78 HPGD (0.62) INSRIGF1RALDH1A1CYP1A2CYP3A4
SCHEMBL12956464 0.76 HPGD (0.46) INSRIGF1RALDH1A1CYP1A2CYP3A4
SCHEMBL19555316 0.76 PTPN7 (0.55) INSRIGF1RHSD17B10MAPTKDM4E
SCHEMBL30025182 0.76 PTPN7 (0.55) INSRIGF1RHSD17B10MAPTKDM4E
SCHEMBL27587625 0.76 ALDH1A1 (0.58) INSRIGF1RALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7368705 0.75 RAB9A (0.78) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL28573140 0.75 KDM4E (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed