SCHEMBL8045773

SCHEMBL8045773

O=S(=O)(Nc1ccccc1)c1ccc(-n2nnnc2Sc2ncc(Cl)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA4 P22748 5/20 0.40
CA9 Q16790 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 4/20 0.39
LIMK2 P53671 2/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 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
SCHEMBL8049857 0.87 EP300 (0.44) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8044600 0.87 EP300 (0.46) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8033042 0.86 MAPT (0.46) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8043646 0.83 ALDH1A1 (0.54) EP300ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL8046892 0.83 EP300 (0.43) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8032741 0.82 PTGS2 (0.48) ALDH1A1SMN1; SMN2LMNATP53CA1
SCHEMBL8034578 0.82 EP300 (0.46) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8033844 0.81 EP300 (0.42) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8033095 0.80 ALDH1A1 (0.52) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8041878 0.80 KEAP1 (0.45) EP300KEAP1NFE2L2ALDH1A1SMN1; SMN2

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed