Sugi Predict

Sugi Predict / Compounds / SCHEMBL6494576

SCHEMBL6494576

SCHEMBL6494576

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.58
▸ F2 P00734 1/20 0.45

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
SCHEMBL6506515 0.92 F10 (0.57) F10F2
SCHEMBL6501958 0.92 F10 (0.57) F10F2
SCHEMBL6501672 0.91 F10 (0.56) F10F2
SCHEMBL6501951 0.91 F10 (0.59) F10F2
Trifluoroacetic Acid SCHEMBL6505636 0.90 F10 (0.62) F10F2
Trifluoroacetic Acid SCHEMBL6501946 0.89 F10 (0.64) F10F2
SCHEMBL6494103 0.89 F10 (0.58) F10F2
Trifluoroacetic Acid SCHEMBL6493415 0.89 F10 (0.61) F10F2
Trifluoroacetic Acid SCHEMBL6494572 0.89 F10 (0.63) F10F2
SCHEMBL6494986 0.88 F10 (0.59) F10

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