SCHEMBL6571473

SCHEMBL6571473

COCCN(CCOC)c1ccc(N)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.42
RORC P51449 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PRMT6 Q96LA8 2/20 0.40
PRMT8 Q9NR22 2/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT1 Q99873 1/20 0.40
MAOB P27338 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
IKBKB O14920 1/20 0.36
BRD4 O60885 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HRH1 P35367 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
SCHEMBL6570747 0.86 KIF11 (0.41) MAOBAKR1C3AKR1C2
SCHEMBL6572255 0.86 CRHR1 (0.38) BRD4
SCHEMBL6572624 0.84 MAP4K4 (0.44) MAOB
SCHEMBL6574286 0.84 RORB (0.47) RORBRORCTSHRMAPK1PRMT6
SCHEMBL6573087 0.83 CRHR1 (0.40) ADORA1
SCHEMBL6572721 0.81 KDM4E (0.35) TSHRADORA2AADORA1IKBKBHRH1
SCHEMBL6571312 0.81 ALDH1A1 (0.44) MAOBADORA2AADORA1GAA
SCHEMBL6571546 0.81 CRHR1 (0.42) RORBRORCMAOB
SCHEMBL6571031 0.81 PIK3CG (0.38) ADORA1
SCHEMBL6574055 0.80 PRMT6 (0.41) RORBRORCTSHRMAPK1PRMT6

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