SCHEMBL8043833

SCHEMBL8043833

CC(C)c1nnc(Sc2ncc(S(C)(=O)=O)s2)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.34
MAPK9 P45984 4/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK10 P53779 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL8043593 0.81 ICAM1 (0.37) MAPK8MAPK9ALDH1A1MAPK10NPC1
SCHEMBL8051724 0.79 MAPK8 (0.54) MAPK8MAPK9ALDH1A1SMN1; SMN2MAPK10
SCHEMBL8043817 0.77 MAPK8 (0.37) MAPK8MAPK9ALDH1A1MAPK10NPC1
SCHEMBL8042354 0.76 MAPK8 (0.34) MAPK8MAPK9MAPK10
SCHEMBL8034033 0.76 ALDH1A1 (0.36) MAPK8MAPK9ALDH1A1SMN1; SMN2MAPK10
SCHEMBL8048119 0.75 MAPK8 (0.38) MAPK8MAPK9ALDH1A1MAPK10
SCHEMBL21899248 0.74 FFAR2 (0.38)
SCHEMBL8047234 0.74 RXRA (0.43) MAPK8MAPK9ALDH1A1SMN1; SMN2MAPK10
SCHEMBL8044752 0.74 MAPK8 (0.33) MAPK8MAPK9MAPK10
SCHEMBL8041884 0.74 MAPK8 (0.36) MAPK8MAPK9ALDH1A1MAPK10NPC1

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