SCHEMBL8044752

SCHEMBL8044752

CS(=O)(=O)c1cnc(Sc2nnc(CCO)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.33
MAPK9 P45984 5/20 0.33
LOXL2 Q9Y4K0 3/20 0.32
MAPK10 P53779 1/20 0.32
LOX P28300 1/20 0.32
GLS O94925 1/20 0.30
FFAR2 O15552 1/20 0.30

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
SCHEMBL8042354 0.89 MAPK8 (0.34) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8048119 0.88 MAPK8 (0.38) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8041884 0.87 MAPK8 (0.36) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8043608 0.86 APEX1 (0.33) MAPK8MAPK9GLSFFAR2
SCHEMBL8043817 0.85 MAPK8 (0.37) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8043583 0.83 AKT1 (0.33) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8043963 0.83 ATM (0.42)
SCHEMBL8043647 0.82 F2 (0.40) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8044039 0.82 ALDH1A1 (0.37) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8051075 0.81 ALDH1A1 (0.35)

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