SCHEMBL9203604

SCHEMBL9203604

CNC1(c2ccc([N+](=O)[O-])cc2)OCC(C)(C)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ACHE P22303 1/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17596778 0.74 HSD17B10 (0.48) ALDH1A1HSD17B10RECQLCA12CA1
SCHEMBL27805323 0.74 HSD17B10 (0.48) ALDH1A1HSD17B10RECQLCA12CA1
SCHEMBL9220984 0.74 LOXL2 (0.42) ALDH1A1HSD17B10RECQLCA12CA1
SCHEMBL9211149 0.72 NPC1 (0.46) ALDH1A1RECQLMAPTSMN1; SMN2MAPK1
SCHEMBL2082451 0.69 HSD17B10 (0.47) ALDH1A1HSD17B10RECQLMAPTSMN1; SMN2
SCHEMBL29177330 0.69 HSD17B10 (0.47) ALDH1A1HSD17B10RECQLMAPTSMN1; SMN2
SCHEMBL10969691 0.68 MAPK1 (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1HTR1E
SCHEMBL2083556 0.67 HSD17B10 (0.44) ALDH1A1HSD17B10RECQLMAPTACHE
SCHEMBL9812380 0.66 HSD17B10 (0.52) ALDH1A1HSD17B10RECQLCA12CA1
SCHEMBL20312474 0.66 HSD17B10 (0.42) ALDH1A1HSD17B10RECQLCA12CA1

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
EP-0662969-A1 UREA AND THIOUREA DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1995-07-19 EP disclosed