SCHEMBL7847199

SCHEMBL7847199

O=S(=O)(Nc1cncs1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
CA12 O43570 3/20 0.50
SCN9A Q15858 1/20 0.50
KEAP1 Q14145 2/20 0.48
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.42
CA9 Q16790 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 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
SCHEMBL2398617 0.73 LMNA (0.55) CA2CA1CA12KEAP1ALDH1A1
SCHEMBL3478459 0.73 KMT2A (0.54) CA2CA1CA12SCN9AKEAP1
SCHEMBL1094713 0.72 KEAP1 (0.48) CA2CA1CA12KEAP1IL1RN
SCHEMBL10251898 0.71 KMT2A (0.48) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL16295606 0.71 KMT2A (0.51) KMT2AALDH1A1MEN1HPGDGAA
SCHEMBL1094802 0.69 KEAP1 (0.64) CA2CA1CA12KEAP1IL1RN
SCHEMBL1094138 0.69 POLB (0.55) KEAP1IL1RNERAP1KMT2AALDH1A1
SCHEMBL299526 0.69 AKT1 (0.71) CA2CA1CA12SCN9AKMT2A
SCHEMBL27473081 0.68 HSD17B10 (0.44) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL1990223 0.67 KEAP1 (0.73) CA2CA1CA12KEAP1IL1RN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed