SCHEMBL9505452

SCHEMBL9505452

Nc1ccc(-c2ccc(N)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
THRB P10828 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
CA3 P07451 1/20 0.56
ALOX15 P16050 1/20 0.56
CA6 P23280 1/20 0.56
CASP1 P29466 1/20 0.56
HIF1A Q16665 1/20 0.56
CA14 Q9ULX7 1/20 0.56
APP P05067 3/20 0.50
USP7 Q93009 2/20 0.50
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44

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
SCHEMBL29141132 1.00 HSD17B10 (0.56) HSD17B10THRBALDH1A1CYP3A4CA3
SCHEMBL28793603 0.90 ALOX5 (0.53) HSD17B10THRBALDH1A1CYP3A4CA3
SCHEMBL27947405 0.90 ALOX5 (0.53) HSD17B10THRBALDH1A1CYP3A4CA3
SCHEMBL30880329 0.89 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP3A4APPTP53
SCHEMBL14110641 0.89 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP3A4APPTP53
SCHEMBL5685027 0.84 CASP1 (0.52) HSD17B10THRBALDH1A1CYP3A4CA3
SCHEMBL28349056 0.84 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP3A4APPTP53
SCHEMBL2957667 0.83 HSD17B1 (0.50) ALDH1A1CYP3A4CA14ESR1ESR2
SCHEMBL692017 0.83 USP7 (0.50) HSD17B10THRBALDH1A1CYP3A4CA3
SCHEMBL2477753 0.83 USP7 (0.50) HSD17B10THRBALDH1A1CYP3A4CA3

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-0295126-B1 ARYLAMINE-CONTAINING POLYHYDROXY ETHER RESINS XEROX CORPORATION (US) 1993-08-04 EP disclosed
US-4818650-A Arylamine containing polyhydroxy ether resins and system utilizing arylamine containing polyhydroxyl ether resins XEROX CORPORATION (US) 1989-04-04 US disclosed