SCHEMBL8061179

SCHEMBL8061179

Nc1ccc(-c2ccccc2)c(-c2ccc(N)c(O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ APP P05067 1/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ ALOX5 P09917 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL28793603 0.82 ALOX5 (0.53) HSD17B10CYP3A4ALOX15ALDH1A1MEN1
SCHEMBL27947405 0.82 ALOX5 (0.53) HSD17B10CYP3A4ALOX15ALDH1A1MEN1
SCHEMBL12478792 0.82 CYP3A4 (0.50) HSD17B10CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL29875613 0.82 ALOX15 (0.64) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL28871380 0.82 HSD17B10 (0.70) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL25301803 0.82 HSD17B10 (0.61) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL650894 0.82 CYP3A4 (0.61) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL21582646 0.82 HSD17B10 (0.61) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL116465 0.82 CYP3A4 (0.61) HSD17B10CYP3A4ALOX15ALDH1A1HPGD
SCHEMBL29372308 0.82 CYP3A4 (0.61) HSD17B10CYP3A4ALOX15ALDH1A1HPGD

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-6103436-A A PHOTOCONDUCTIVE LAYER COMPRISING A HYDROXY FUNCTIONALIZED AROMATIC DIAMINE AND A HYDROXY FUNCTIONALIZED TRIARYLAMINE AND A CROSSLINKED POLYAMIDE MATRIX XEROX CORPORATION (US) 2000-08-15 — — US disclosed
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