SCHEMBL8050229

SCHEMBL8050229

CC(C)c1nnc(Sc2nc(C(C)(C)C)c(Br)s2)s1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8044349 0.81
SCHEMBL8032529 0.80 GAA (0.36) PTGS1PTGS2
SCHEMBL8048051 0.80 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8032871 0.79 FBP1 (0.40) PTGS1PTGS2
SCHEMBL8041822 0.77 ALDH1A1 (0.33) PTGS1PTGS2
SCHEMBL8033002 0.77 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL8042342 0.75 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL8032336 0.74 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8042604 0.73 ALDH1A1 (0.35) PTGS1PTGS2
SCHEMBL8046531 0.73 PTGS1 (0.32) PTGS1PTGS2

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