SCHEMBL8076757

SCHEMBL8076757

NS(=O)(=O)c1ccc(-c2csc(=S)n2-c2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.59
PTGS1 P23219 4/20 0.59
CA1 P00915 12/20 0.54
CA2 P00918 12/20 0.54
CA12 O43570 11/20 0.54
CA9 Q16790 11/20 0.54
CHRNA7 P36544 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5672972 0.86 CA12 (0.60) PTGS2PTGS1CA1CA2CA12
SCHEMBL8070312 0.83 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL5674068 0.81 CA12 (0.62) PTGS2PTGS1CA1CA2CA12
SCHEMBL8407587 0.80 CA2 (0.42) PTGS2PTGS1CA1CA2CA12
SCHEMBL5671527 0.79 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA12
SCHEMBL5672477 0.79 CA12 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL5671515 0.74 CA2 (0.57) PTGS2CA1CA2CA12CA9
SCHEMBL8061294 0.74 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
SCHEMBL8724654 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8071992 0.71 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA12

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-1023277-A1 NOVEL 3,4-DIARYLTHIAZOLIN-2-ONE OR -2-THIONE DERIVATIVES, PREPARATION METHODS AND USES IN THERAPY LABORATOIRES UPSA (FR) 2000-08-02 EP disclosed
WO-1999018093-A1 NOVEL 3,4-DIARYLTHIAZOLIN-2-ONE OR -2-THIONE DERIVATIVES, PREPARATION METHODS AND USES IN THERAPY LABORATOIRES UPSA (FR) 1999-04-15 WO disclosed