SCHEMBL8042800

SCHEMBL8042800

CS(=O)(=O)c1cnc(Sc2nnnn2-c2sccc2C(=O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 0.85 TP53 (0.34) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL8044070 0.84 MAPT (0.36) MAPTKMT2ARECQLMEN1POLB
SCHEMBL8050058 0.83 KMT2A (0.36) MAPTKMT2ARECQLMEN1POLB
SCHEMBL8041899 0.81 RECQL (0.49) MAPTKMT2ARECQLMEN1POLB
SCHEMBL8044357 0.80 MAPK8 (0.41) MAPTKMT2ARECQLMEN1POLB
SCHEMBL8045476 0.80 KMT2A (0.40) MAPTKMT2ARECQLMEN1POLB
SCHEMBL8048098 0.79 HTT (0.31) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL8048309 0.79 ALDH1A1 (0.52) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL8042545 0.78 ALDH1A1 (0.36) MAPTKMT2ATDP1ALDH1A1LMNA
SCHEMBL8047480 0.78 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1LMNA

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