SCHEMBL6496301

SCHEMBL6496301

COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-n4ccnc4CN(C)C(=O)O)cc2)CC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
F2 P00734 3/20 0.50

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
Trifluoroacetic Acid SCHEMBL6501946 0.96 F10 (0.64) F10F2
SCHEMBL6502414 0.94 F10 (0.60) F10F2
SCHEMBL8354833 0.93 F10 (0.59) F10F2
SCHEMBL6494103 0.93 F10 (0.58) F10F2
SCHEMBL6502338 0.92 F10 (0.58) F10F2
SCHEMBL8357489 0.91 F10 (0.57) F10F2
SCHEMBL6492574 0.91 F10 (0.57) F10F2
Trifluoroacetic Acid SCHEMBL6494572 0.91 F10 (0.63) F10F2
SCHEMBL6502147 0.90 F10 (0.58) F10F2
SCHEMBL6502654 0.90 F10 (0.58) F10F2

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed