SCHEMBL6572396

SCHEMBL6572396

Nc1ccc(N(CCO)CCO)c(-c2ccc(Br)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EPRS1 P07814 1/20 0.33
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
LSS P48449 1/20 0.30
APP P05067 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL6570840 0.90 ALDH1A1 (0.36) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6571486 0.86 USP7 (0.40) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL6572491 0.85 MAPT (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6572062 0.85 ALDH1A1 (0.31) ALDH1A1MAPTMEN1KMT2APABPC1
SCHEMBL6570740 0.84 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6574742 0.84 GCGR (0.37) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6572686 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APABPC1PTGDR2
SCHEMBL6571903 0.84 KMT2A (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6574001 0.84 FYN (0.33) ALDH1A1MEN1KMT2APABPC1PTGDR2
SCHEMBL6571885 0.84 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APABPC1PTGDR2

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