SCHEMBL12863739

SCHEMBL12863739

COC(=O)c1cc(C(F)(F)F)ccc1NC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CES2 O00748 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ESRRA P11474 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ LIPC P11150 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ OR51E2 Q9H255 1/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL25975127 0.81 OR51E2 (0.47) CFTRRXFP1KDM4EKMT2AALDH1A1
SCHEMBL12894745 0.81 CFTR (0.57) CFTRRXFP1CES2KDM4EMAPT
SCHEMBL3738491 0.80 CFTR (0.54) CFTRCES2KDM4EMAPTLMNA
SCHEMBL22263091 0.79 CFTR (0.73) CFTRCES2KDM4EMAPTALDH1A1
SCHEMBL23141323 0.79 CFTR (0.52) CFTRCES2KDM4EMAPTLMNA
SCHEMBL22519245 0.79 KCNK2 (0.43) CFTRRXFP1KDM4EMAPTLMNA
SCHEMBL3744782 0.78 CFTR (0.55) CFTRCES2KDM4EHPGDKDM1A
SCHEMBL26930977 0.78 TAS2R14 (0.48) CFTRRXFP1KDM4EMAPTLMNA
SCHEMBL26930895 0.78 CFTR (0.48) CFTRRXFP1CES2KDM4EMAPT
SCHEMBL26931075 0.78 CFTR (0.48) CFTRRXFP1CES2KDM4EMAPT

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
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP disclosed
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