SCHEMBL9755841

SCHEMBL9755841

CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2CC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.47
PTGS1 P23219 4/20 0.47
MC4R P32245 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MT-CO1 P00395 1/20 0.42
MT-CO2 P00403 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7876450 0.77 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7874913 0.74 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7869531 0.70 PTGS2 (0.53) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6050740 0.69 PTGS2 (0.61) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.69 PTGS2 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6050737 0.68 PTGS2 (0.56) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6050766 0.67 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7845084 0.67 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7832962 0.67 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8985424 0.67 PTGS2 (0.56) PTGS2PTGS1KDM4EMT-CO1MT-CO2

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
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed