SCHEMBL6572296

SCHEMBL6572296

Nc1ccc(N)c(-c2ccc(CO)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.39
KDM1A O60341 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3790158 0.88 CYP3A4 (0.39) FYNMEN1KMT2APOLBMAPT
SCHEMBL6573221 0.85 CA2 (0.42) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL27503727 0.84 LOXL2 (0.54)
SCHEMBL8901065 0.84 CYP3A4 (0.39) FYNPRSS1PRSS2PRSS3RAB9A
Hydrochloric Acid SCHEMBL6570694 0.83 CA2 (0.41) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL2479814 0.83 TDP1 (0.50) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL30075769 0.83 TDP1 (0.50) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL6570730 0.82 TAAR1 (0.42) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL28883033 0.82 THRB (0.39) MEN1KMT2APOLBMAPTKDM4E
Hydrochloric Acid SCHEMBL6573139 0.81 TAAR1 (0.41) MEN1KMT2APOLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed