SCHEMBL11039635

SCHEMBL11039635

O=S(=O)(CCO)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 3/20 0.47
PTGDR2 Q9Y5Y4 6/20 0.40
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
FBP1 P09467 1/20 0.35
KDM1A O60341 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL11037793 0.84 MAPT (0.49) PTGS2PTGS1PTGDR2ALDH1A1MEN1
SCHEMBL11040052 0.76 PTGS2 (0.47) PTGS2PTGS1PTGDR2ALDH1A1MEN1
SCHEMBL11043740 0.76 PTGS2 (0.44) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL11040677 0.76 ALOX5 (0.47) PTGS2ALDH1A1MAPTPPARDKDM4E
SCHEMBL7843752 0.70 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7842996 0.70 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7840244 0.70 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7845155 0.70 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL11041686 0.70 HRH3 (0.43) PTGS2PTGS1PTGDR2PPARD
SCHEMBL11014043 0.69 PTGS1 (0.63) PTGS2PTGS1ALDH1A1HPGD

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
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed