SCHEMBL335265

SCHEMBL335265

CC(C)(C)c1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3ccnc(N)c3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.45
F7 P08709 2/20 0.38
F3 P13726 2/20 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 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 3/20 0.37
F10 P00742 4/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 2/20 0.36
EIF2S1 P05198 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35

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
SCHEMBL335522 0.93 F9 (0.53) F9F7F3INSRLCK
SCHEMBL362059 0.86 F9 (0.40) F9F7F3NPC1HDAC1
SCHEMBL335037 0.85 F9 (0.55) F9F7F3RAB9AF10
SCHEMBL335437 0.81 F10 (0.46) F9F7F3HDAC1F10
SCHEMBL335890 0.81 ACP1 (0.40) F9F7F3INSRLCK
SCHEMBL334954 0.80 F9 (0.47) F9F7F3F10ROCK2
SCHEMBL335322 0.78 F9 (0.64) F9F7F3RAB9AF10
SCHEMBL8223612 0.78 F9 (0.40) F9F7F3F10EIF2S1
SCHEMBL334986 0.77 MAPT (0.44) F9F7F3NPC1RAB9A
SCHEMBL335901 0.77 F10 (0.47) F9F7F3F10ROCK2

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