SCHEMBL8042679

SCHEMBL8042679

COc1ccc(O)c(-c2nnc(Sc3ncc([N+](=O)[O-])s3)n2-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.43
MAPK9 P45984 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ALPG P10696 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
HPGD P15428 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK10 P53779 2/20 0.38

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
SCHEMBL8043271 0.85 ALPG (0.45) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL8032437 0.84 ALPG (0.42) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL8046022 0.83 TP53 (0.45) MAPK8MAPK9KMT2AMEN1NPC1
SCHEMBL8044593 0.83 ALPG (0.42) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL8033875 0.81 MAPT (0.45) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL8049866 0.80 PKM (0.45) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL7813813 0.79 MAPK8 (0.46) MAPK8MAPK9KMT2AMEN1NPC1
SCHEMBL8032745 0.79 MEN1 (0.45) KMT2AMEN1ALPGCDC25ACDC25B
SCHEMBL7850363 0.79 NPSR1 (0.49) MAPK8MAPK9KMT2AMEN1NPC1
SCHEMBL8042964 0.78 NPC1 (0.44) MAPK8MAPK9KMT2AMEN1NPC1

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