SCHEMBL8044600

SCHEMBL8044600

O=C(O)c1cnc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 3/20 0.39
GRM4 Q14833 1/20 0.39
LIMK1 P53667 2/20 0.39
LIMK2 P53671 2/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL8045773 0.87 EP300 (0.45) EP300KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL8049857 0.85 EP300 (0.44) EP300KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL8046892 0.85 EP300 (0.43) EP300KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL8044465 0.85 ALDH1A1 (0.51) EP300SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL8048031 0.84 PTGS2 (0.45) SMN1; SMN2ALDH1A1LMNATP53PKM
SCHEMBL8033042 0.84 MAPT (0.46) EP300KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL8045818 0.81 HPGD (0.51) EP300SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL8034578 0.81 EP300 (0.46) EP300KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL8044703 0.80 MAPT (0.44) EP300SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL8042658 0.80 KMT2A (0.42) EP300SMN1; SMN2ALDH1A1LMNATP53

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