Sugi Predict

Sugi Predict / Compounds / SCHEMBL2294830

SCHEMBL2294830

SCHEMBL2294830

COC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(S(C)(=O)=O)S(C)(=O)=O)c(OC(C)C)cc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RCE1 Q9Y256 1/20 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
SCHEMBL15455340 0.85 CYP3A4 (0.47) CYP2C9CYP3A4CYP2C19ATML3MBTL1
SCHEMBL1918337 0.85 ATM (0.40) ATML3MBTL1RCE1
SCHEMBL2297611 0.83 ATM (0.43) ATML3MBTL1RCE1
SCHEMBL2837671 0.82 CYP3A4 (0.49) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2840742 0.82 CACNA1C (0.52) —
SCHEMBL2302059 0.82 CYP2C9 (0.56) CYP2C9CYP3A4CYP2C19KCNH2ATM
SCHEMBL2841638 0.81 CYP3A4 (0.51) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2839906 0.80 CYP3A4 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL9954399 0.80 ATM (0.36) ATML3MBTL1RCE1
SCHEMBL2837509 0.80 CYP3A4 (0.50) CYP2C9CYP3A4CYP2C19KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 — — WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 — — WO disclosed