SCHEMBL6570876

SCHEMBL6570876

Nc1ccc(NCCO)cc1-c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.39
PLK4 O00444 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
FRK P42685 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL7693189 0.88 FCGR3B (0.36) MAP4K4DYRK1APIK3CDPIK3CAPIK3CB
SCHEMBL6572047 0.87 FCGR3B (0.40) MAP4K4DYRK1AADORA1FNTAFNTB
SCHEMBL6574702 0.87 ABL1 (0.36) KDRAURKBPIK3CDPIK3CAPIK3CB
SCHEMBL6572585 0.86 ALDH1A1 (0.42) MAP4K4MINK1SRPK1CLK4ADORA1
SCHEMBL6572942 0.85 APP (0.41) CYP3A4TAAR1
SCHEMBL6573234 0.84 PIK3CA (0.42) SRCPLK4ROCK2RPS6KA5MAP4K4
SCHEMBL6572467 0.83 ALDH1A1 (0.37) CYP3A4TAAR1
SCHEMBL6573049 0.83 JAK2 (0.33) KDRAURKB
SCHEMBL6573720 0.81 MEN1 (0.46) SRCCLK4CYP3A4TAAR1CD274
SCHEMBL6573135 0.81 FNTA (0.38) SRCPLK4ROCK2RPS6KA5MAP4K4

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