SCHEMBL8048098

SCHEMBL8048098

CS(=O)(=O)c1cnc(Sc2nnnn2-c2nccs2)s1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8047517 0.81 TP53 (0.34) HTTALDH1A1LMNATP53MAPT
SCHEMBL8042545 0.81 ALDH1A1 (0.36) HTTALDH1A1LMNATP53MAPT
SCHEMBL8044132 0.80 TP53 (0.37) HTTALDH1A1LMNATP53MAPT
SCHEMBL8048309 0.79 ALDH1A1 (0.52) HTTALDH1A1LMNATP53MAPT
SCHEMBL8042800 0.79 MAPT (0.36) HTTALDH1A1LMNATP53MAPT
SCHEMBL8046224 0.78 RXRA (0.35) HTTALDH1A1LMNATP53MAPT
SCHEMBL8046664 0.78 CA12 (0.42) HTTALDH1A1LMNATP53KMT2A
SCHEMBL8032525 0.78 POLB (0.42) HTTALDH1A1LMNATP53MAPT
SCHEMBL8045872 0.77 FBP1 (0.40) HTTALDH1A1LMNATP53MAPT
SCHEMBL8050190 0.77 ALDH1A1 (0.40) HTTALDH1A1LMNATP53MAPT

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