SCHEMBL11043740

SCHEMBL11043740

O=S(=O)(CCO)c1nc(-c2ccccc2)c(-c2cccnc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL11040677 0.95 ALOX5 (0.47) PTGS2ALOX5KDM4EALDH1A1POLB
SCHEMBL11038889 0.86 PTGS2 (0.49) PTGS2ALOX5KDM4EALDH1A1POLB
SCHEMBL11040055 0.81 PTGS2 (0.49) PTGS2ALOX5KDM4EALDH1A1MAPT
SCHEMBL11039017 0.81 PTGS2 (0.57) PTGS2ALOX5KDM4EALDH1A1POLB
SCHEMBL11039635 0.76 PTGS2 (0.47) PTGS2KDM4EALDH1A1MAPTMEN1
SCHEMBL11040738 0.76 PTGS2 (0.57) PTGS2ALOX5KDM4EALDH1A1POLB
SCHEMBL11037793 0.73 MAPT (0.49) PTGS2KDM4EALDH1A1MAPTMEN1
SCHEMBL11040740 0.73 MAPK1 (0.52) ALOX5KDM4EALDH1A1POLBMAPT
SCHEMBL11466268 0.71 ALOX5 (0.69) PTGS2ALOX5KDM4EALDH1A1POLB
SCHEMBL11042918 0.71 ALOX5 (0.41) PTGS2ALOX5KDM4EALDH1A1POLB

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
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 claimed
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