SCHEMBL8043229

SCHEMBL8043229

CC(C)(C)c1nc(Sc2nnc(CC(=O)O)s2)sc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8048229 0.89 F2 (0.40) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL8050250 0.88 ALDH1A1 (0.34) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL8042342 0.84 PTGS1 (0.33) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL8033002 0.82 PTGS1 (0.33) ALDH1A1PTGS1PTGS2GAA
SCHEMBL8047168 0.82 APEX1 (0.33) GAAL3MBTL1
SCHEMBL8046531 0.82 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8032336 0.80 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8710461 0.79 MEN1 (0.35) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL8042604 0.79 ALDH1A1 (0.35) ALDH1A1PTGS1PTGS2
SCHEMBL8043938 0.79 POLB (0.37)

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed