SCHEMBL6572058

SCHEMBL6572058

Nc1ccc(N(CCO)CCO)c(-c2cccc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
FYN P06241 2/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
CHEK2 O96017 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.33
MAP4K4 O95819 2/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6574565 0.88 MAPT (0.40) MEN1KMT2APABPC1KDM4EPTGDR2
SCHEMBL6574742 0.85 GCGR (0.37) TAAR1MEN1KMT2APABPC1PTGDR2
SCHEMBL6572182 0.84 PIK3CG (0.41) MEN1KMT2APABPC1PTGDR2ADORA1
Hydrochloric Acid SCHEMBL6572997 0.84 PTGDR2 (0.43) TAAR1MEN1KMT2APABPC1KDM4E
SCHEMBL6572172 0.83 STK4 (0.45) TAAR1ESR2MEN1KMT2APABPC1
SCHEMBL6570856 0.83 ALDH1A1 (0.38) FYNMEN1KMT2APABPC1KDM4E
SCHEMBL6572491 0.83 MAPT (0.37) TAAR1MEN1KMT2APABPC1KDM4E
SCHEMBL6574286 0.83 RORB (0.47) TAAR1MEN1KMT2AADORA1MAOB
SCHEMBL6572624 0.83 MAP4K4 (0.44) TAAR1FYNKMT2AMAP4K4MAOB
SCHEMBL6570840 0.82 ALDH1A1 (0.36) TAAR1MEN1KMT2APABPC1KDM4E

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