SCHEMBL3248267

SCHEMBL3248267

O=C(NCc1ccccc1)Oc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.66
MGLL Q99685 1/20 0.60
ROCK1 Q13464 1/20 0.55
EPHX1 P07099 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ADAMTS4 O75173 1/20 0.51

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
SCHEMBL3244603 0.88 ROCK2 (0.58) ROCK2MGLLROCK1NPC1RAB9A
SCHEMBL3243298 0.86 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20262080 0.85 ROCK2 (0.52) ROCK2MGLLROCK1EPHX1NPC1
SCHEMBL3246002 0.85 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL10133046 0.85 MGLL (0.65) MGLLEPHX1NPC1RAB9AADAMTS4
SCHEMBL3249896 0.83 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL17552096 0.82 NPC1 (0.69) MGLLEPHX1NPC1RAB9AADAMTS4
SCHEMBL27744398 0.81 EPHX1 (0.70) ROCK2MGLLROCK1EPHX1NPC1
SCHEMBL3263754 0.81 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL9124263 0.81 MGLL (0.61) MGLLEPHX1NPC1RAB9AADAMTS4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed