SCHEMBL8050241

SCHEMBL8050241

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 1/20 0.33
FFAR2 O15552 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PAX8 Q06710 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8043593 0.81 ICAM1 (0.37) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8051724 0.79 MAPK8 (0.54) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8043833 0.77 MAPK8 (0.34) MAPK8MAPK9MAPK10ALDH1A1HSD17B10
SCHEMBL8043817 0.77 MAPK8 (0.37) CA1CA2CA4CA5ACA5B
SCHEMBL8042354 0.76 MAPK8 (0.34) MAPK8MAPK9MAPK10FFAR2
SCHEMBL8042630 0.76 RAB9A (0.35) MAPK8MAPK9MAPK10ALDH1A1MEN1
SCHEMBL8048119 0.75 MAPK8 (0.38) MAPK8MAPK9MAPK10ALDH1A1KMT2A
SCHEMBL8042669 0.74 RXRA (0.43) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8044752 0.74 MAPK8 (0.33) MAPK8MAPK9MAPK10FFAR2
SCHEMBL8044039 0.74 ALDH1A1 (0.37) MAPK8MAPK9MAPK10ALDH1A1HPGD

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