SCHEMBL6570709

SCHEMBL6570709

CC(=O)c1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PGR P06401 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B1 P14061 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6572761 0.87 ALDH1A1 (0.42) ALDH1A1PTGDR2
SCHEMBL6572077 0.87 PGR (0.39) ALDH1A1PGRMAPTNPC1RAB9A
SCHEMBL6570840 0.85 ALDH1A1 (0.36) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6570740 0.82 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7805971 0.82 ALDH1A1 (0.35) ALDH1A1PGRMAPTNPC1RAB9A
SCHEMBL6571486 0.81 USP7 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7456486 0.81 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1PABPC1
SCHEMBL7459378 0.81 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1PABPC1PTGDR2
SCHEMBL7809754 0.81 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6573269 0.80 ALDH1A1 (0.43) ALDH1A1PGRMAPTNPC1RAB9A

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