SCHEMBL7982663

SCHEMBL7982663

N#Cc1ccc(C(=O)NCc2cccc(OCCCCCOc3cccc(CNC(=O)c4ccc(C#N)cc4)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
ROCK2 O75116 5/20 0.55
ROCK1 Q13464 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
IDO1 P14902 1/20 0.53
ADORA2A P29274 1/20 0.53
CHRM3 P20309 1/20 0.53
MAOB P27338 1/20 0.52
EGLN2 Q96KS0 1/20 0.52
EPHX2 P34913 1/20 0.51
SMPD1 P17405 1/20 0.51
MMP13 P45452 2/20 0.50
PRKACA P17612 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCQ Q04759 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL7473770 0.91 MAOB (0.57) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL7986757 0.86 EPHX2 (0.64) EPHX2MAPK14
SCHEMBL7989749 0.86 EPHX2 (0.64) EPHX2MAPK14
SCHEMBL7986129 0.86 EPHX2 (0.64) EPHX2MAPK14
SCHEMBL7982523 0.85 EPHX2 (0.65) EPHX2MAPK14
SCHEMBL7984857 0.82 EPHX2 (0.65) EPHX2MAPK14
SCHEMBL7986234 0.82 F10 (0.65) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL7990811 0.81 EPHX2 (0.67) RAB9AEPHX2MAPK14
SCHEMBL3902858 0.81 RAB9A (0.58) RAB9ASMPD1
SCHEMBL7983783 0.81 MAOB (0.54) RAB9ACHRM3MAOBSMPD1

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
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed