SCHEMBL9212962

SCHEMBL9212962

CS(=O)(=O)C1(F)C=CC(C(=O)C(=O)c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.38
CES1 P23141 11/20 0.38
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6829479 0.81 CES2 (0.47) CES2CES1RAB9ALMNAMAPT
SCHEMBL6671451 0.75 CES2 (0.47) CES2CES1RAB9ALMNAMAPT
SCHEMBL5948412 0.74 CES2 (0.44) CES2CES1RAB9ALMNAMAPT
SCHEMBL8601696 0.74 RAB9A (0.44) CES2CES1RAB9ALMNAMAPT
SCHEMBL830474 0.74 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL1520841 0.74 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL28159138 0.74 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL31120312 0.73 CES2 (0.41) CES2CES1RAB9ALMNAMAPT
SCHEMBL27496814 0.69 KMT2A (0.36) LMNAATMGAA
SCHEMBL27513057 0.69 KMT2A (0.35) RAB9ALMNAMAPTATMSMN1; SMN2

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
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 WO disclosed