SCHEMBL8044845

SCHEMBL8044845

NS(=O)(=O)c1ccc(-n2nnnc2Sc2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
HSD17B10 Q99714 2/20 0.42
JAK2 O60674 1/20 0.42
TP53 P04637 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
CA4 P22748 5/20 0.39
CA12 O43570 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8034578 0.82 EP300 (0.46) PTGS2HSD17B10TP53CA1CA2
SCHEMBL8032781 0.81 TP53 (0.46) HSD17B10JAK2TP53TLR9ALDH1A1
SCHEMBL8032540 0.81 ALDH1A1 (0.53) HSD17B10TP53ALDH1A1PKMHPGD
SCHEMBL8032472 0.80 PTGS2 (0.48) PTGS2CA1CA2CA9CA4
SCHEMBL8048040 0.80 HPGD (0.52) HSD17B10JAK2TP53TLR9ALDH1A1
SCHEMBL8032741 0.79 PTGS2 (0.48) PTGS2HSD17B10JAK2TP53TLR9
SCHEMBL8042445 0.79 HSD17B10 (0.44) HSD17B10JAK2TP53TLR9ALDH1A1
SCHEMBL8051272 0.78 SMN1; SMN2 (0.49) HSD17B10JAK2TP53TLR9ALDH1A1
SCHEMBL8044697 0.78 HSD17B10 (0.43) HSD17B10JAK2TP53TLR9ALDH1A1
SCHEMBL8047806 0.78 MAPT (0.43) PTGS2HSD17B10JAK2TP53TLR9

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed