SCHEMBL335340

SCHEMBL335340

CCc1cc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.46
F7 P08709 9/20 0.45
F3 P13726 7/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 5/20 0.39
F2 P00734 3/20 0.39
F11 P03951 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
GRM4 Q14833 3/20 0.38

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
SCHEMBL334954 0.87 F9 (0.47) F9F7F3F10F2
SCHEMBL335724 0.86 F7 (0.50) F9F7F3F10F2
SCHEMBL336483 0.86 F9 (0.54) F9F7F3LMNAF10
SCHEMBL335697 0.85 F7 (0.52) F9F7F3F10F2
SCHEMBL334902 0.83 F9 (0.49) F9F7F3F10F2
SCHEMBL335996 0.83 F9 (0.49) F9F7F3F10F2
SCHEMBL335786 0.83 F9 (0.51) F9F7F3F10F2
SCHEMBL336042 0.83 F9 (0.48) F9F7F3SMN1; SMN2F10
SCHEMBL335293 0.83 F9 (0.48) F9F7F3SMN1; SMN2F10
SCHEMBL335322 0.82 F9 (0.64) F9F7F3RAB9AF10

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