SCHEMBL6572708

SCHEMBL6572708

Nc1cc(-c2ccccc2)c(N)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2A6 P11509 1/20 0.48
CSNK2A1 P68400 2/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP8 Q14790 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL10712308 0.89 ALDH1A1 (0.50) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL10922908 0.87 CSNK2A1 (0.48) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL16615862 0.86 ALDH1A1 (0.62) GAAALDH1A1HSD17B10CYP2A6KDM4E
SCHEMBL12364208 0.84 ALDH1A1 (0.50) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL6576018 0.83 BACE1 (0.58) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL16119858 0.82 ALDH1A1 (0.43) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL16121129 0.82 CD44 (0.54) ALDH1A1HSD17B10CYP2A6CSNK2A1MAPT
SCHEMBL2942454 0.81 ALDH1A1 (0.56) GAAALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2265147 0.81 CSNK2A1 (0.47) GAAALDH1A1HSD17B10CYP2A6CSNK2A1
SCHEMBL17463848 0.79 ALDH1A1 (0.59) GAAALDH1A1HSD17B10KDM4ELMNA

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