SCHEMBL335522

SCHEMBL335522

CC(C)(C)c1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.53
F7 P08709 8/20 0.45
F3 P13726 3/20 0.45
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
LRRK2 Q5S007 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL335265 0.93 F9 (0.45) F9F7F3ROCK2ROCK1
SCHEMBL334954 0.86 F9 (0.47) F9F7F3ROCK2ROCK1
SCHEMBL335322 0.85 F9 (0.64) F9F7F3F10F11
SCHEMBL336483 0.84 F9 (0.54) F9F7F3ROCK2ROCK1
SCHEMBL335786 0.81 F9 (0.51) F9F7F3ROCK2ROCK1
SCHEMBL335890 0.81 ACP1 (0.40) F9F7F3F11INSR
SCHEMBL362059 0.80 F9 (0.40) F9F7F3ROCK2ROCK1
SCHEMBL335724 0.79 F7 (0.50) F9F7F3ROCK1F10
SCHEMBL335793 0.79 F9 (0.50) F9F7F3ROCK2ROCK1
SCHEMBL335253 0.79 F9 (0.50) F9F7F3ROCK2ROCK1

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed