SCHEMBL6574286

SCHEMBL6574286

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.47
RORC P51449 2/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 3/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6571387 0.87 KIF11 (0.46) RORBRORCTSHRMAPK1MEN1
SCHEMBL6574565 0.85 MAPT (0.40) MEN1KMT2A
SCHEMBL6571473 0.84 RORB (0.42) RORBRORCTSHRMAPK1MAOB
SCHEMBL6572058 0.83 TAAR1 (0.45) MEN1KMT2AMAOBADORA1TAAR1
SCHEMBL6572182 0.81 PIK3CG (0.41) MEN1KMT2AADORA1
Hydrochloric Acid SCHEMBL6572997 0.81 PTGDR2 (0.43) TSHRMAPK1MEN1KMT2ATAAR1
SCHEMBL6572491 0.80 MAPT (0.37) MEN1KMT2AHRH1HRH4TAAR1
SCHEMBL6572172 0.80 STK4 (0.45) MEN1KMT2AMAOBADORA1ADORA2A
SCHEMBL6570856 0.80 ALDH1A1 (0.38) MEN1KMT2AADORA1ADORA2ATRPV1
SCHEMBL6570840 0.79 ALDH1A1 (0.36) TSHRMAPK1MEN1KMT2ATAAR1

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