SCHEMBL6574055

SCHEMBL6574055

COCCN(CCOC)c1ccc(N)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 2/20 0.41
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
RORB Q92753 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
RORC P51449 1/20 0.36
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 0.36
AKR1C2 P52895 1/20 0.36
PTAFR P25105 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL6572966 0.86 ALOX5AP (0.37) RORCAKR1C3AKR1C2MAOB
SCHEMBL6571371 0.85 MAOA (0.34) BRD4TSHRCHRM3
SCHEMBL6570991 0.84 MEN1 (0.42) PRMT6PRMT8PRMT3CARM1PRMT1
SCHEMBL6572821 0.84 ALDH1A1 (0.37) ADORA2AADORA1
SCHEMBL6574166 0.84 MAP4K4 (0.42) TLR8KCNH2CHRM3
SCHEMBL6572500 0.82 MAPT (0.40) RORBADORA2AADORA1RORC
SCHEMBL6572429 0.82 TDO2 (0.42) ADORA2AADORA1MAOBKDM1A
SCHEMBL6570969 0.82 ADK (0.36) ADORA2AADORA1IKBKBTSHR
SCHEMBL6571441 0.82 CYP3A4 (0.38) ADORA1CHRM3
SCHEMBL6570954 0.80 CA12 (0.34) BRD4MAOB

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