SCHEMBL6570701

SCHEMBL6570701

Cc1ccccc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE10A Q9Y233 1/20 0.36
GAA P10253 2/20 0.34
CASP1 P29466 2/20 0.34
USP2 O75604 1/20 0.34
CRHBP P24387 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL6572419 0.84 MEN1 (0.40) MEN1KMT2APABPC1ALDH1A1MAPT
SCHEMBL6571969 0.83 CRHR1 (0.42) PLA2G7MEN1KMT2AALDH1A1MAPT
SCHEMBL6574139 0.82 PLA2G7 (0.50) PLA2G7MEN1KMT2APABPC1ALDH1A1
SCHEMBL6573270 0.82 MEN1 (0.39) MEN1KMT2APABPC1ALDH1A1MAPT
SCHEMBL6571978 0.82 HTR7 (0.41) MEN1KMT2APABPC1MAPTTSHR
SCHEMBL7460684 0.81 CYP2A6 (0.37) MEN1KMT2APABPC1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6572997 0.80 PTGDR2 (0.43) MEN1KMT2APABPC1ALDH1A1MAPT
SCHEMBL6572103 0.80 MEN1 (0.38) MEN1KMT2APABPC1ALDH1A1NPC1
SCHEMBL7459407 0.80 ALDH1A1 (0.35) ALDH1A1TSHRPDE10ACASP1
SCHEMBL6571925 0.79 CRHR1 (0.38) PLA2G7MEN1KMT2APABPC1ALDH1A1

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