SCHEMBL6572986

SCHEMBL6572986

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
PGR P06401 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 1/20 0.36
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
PRKCI P41743 1/20 0.35
KIF11 P52732 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
SCHEMBL6573438 0.87 RARB (0.42) KMT2AKDM4ERARBRARG
SCHEMBL6570731 0.87 HDAC2 (0.38) HSD17B1HDAC2MAPTKMT2AMEN1
SCHEMBL6572316 0.82 S100B (0.40) MAPTKMT2AMEN1POLBGAA
SCHEMBL6572518 0.82 MAPT (0.38) MAPTKMT2AMEN1POLBGAA
SCHEMBL6571892 0.82 MAPT (0.37) MAPTKMT2AMEN1POLBGAA
SCHEMBL7807510 0.82 CHRM2 (0.32) MAPTKMT2AMEN1POLBGAA
SCHEMBL6572200 0.81 USP7 (0.40) MAPTKMT2AMEN1POLBGAA
SCHEMBL6574636 0.81 KMT2A (0.42) HDAC2MAPTKMT2AMEN1POLB
SCHEMBL7451320 0.81 MAPT (0.36) MAPTKMT2AMEN1POLBGAA
SCHEMBL7800673 0.81 CA2 (0.34) MAPTKMT2AMEN1POLBGAA

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