SCHEMBL8041878

SCHEMBL8041878

O=S(=O)(Nc1ccccc1)c1ccc(-n2nnnc2Sc2nc(Br)c(Br)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
EP300 Q09472 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 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
CA1 P00915 3/20 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
SCHEMBL8050392 0.88 EP300 (0.44) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8033095 0.84 ALDH1A1 (0.52) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8052220 0.83 ALDH1A1 (0.54) EP300ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL8042219 0.82 PTGS2 (0.44) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL8715704 0.82 EP300 (0.40) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8032354 0.81 ALDH1A1 (0.46) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8033844 0.81 EP300 (0.42) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8034180 0.80 MAPT (0.49) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8045773 0.80 EP300 (0.45) KEAP1EP300NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL8034578 0.80 EP300 (0.46) KEAP1EP300NFE2L2ALDH1A1SMN1; 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