SCHEMBL6570747

SCHEMBL6570747

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
MAOB P27338 4/20 0.34
CASR P41180 3/20 0.33
RAB9A P51151 1/20 0.33
BACE1 P56817 1/20 0.33
MTTP P55157 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AGXT P21549 1/20 0.32
MCHR1 Q99705 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
SCHEMBL6572090 0.88 CRHR1 (0.34) HTTKMT2A
SCHEMBL6571473 0.86 RORB (0.42) MAOBAKR1C3AKR1C2
SCHEMBL6571975 0.85 GRM2 (0.38) RAB9A
SCHEMBL6571387 0.84 KIF11 (0.46) KIF11MAOBKMT2A
SCHEMBL6571013 0.84 CRHR1 (0.38) RAB9ABACE1KDM4EHTTKMT2A
SCHEMBL6572439 0.83 CRHR1 (0.33) KMT2A
SCHEMBL6571986 0.83 MEN1 (0.41) RAB9AKMT2A
SCHEMBL6572104 0.83 CRHR1 (0.32)
SCHEMBL6572455 0.83 USP7 (0.35) KMT2A
SCHEMBL6574108 0.83 CRHR1 (0.33) KDM4EKMT2A

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 3 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