SCHEMBL8043271

SCHEMBL8043271

COc1ccc(O)c(-c2nnc(Sc3ncc(C(=O)O)s3)n2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.45
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TSHR P16473 3/20 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
SCHEMBL8032437 0.87 ALPG (0.42) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8044593 0.85 ALPG (0.42) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8042679 0.85 MAPK8 (0.43) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8049866 0.84 PKM (0.45) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8712945 0.84 TP53 (0.51) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL8032745 0.81 MEN1 (0.45) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8044342 0.80 ALPG (0.43) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8042199 0.80 ALPG (0.46) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8033695 0.80 ALPG (0.44) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL8050243 0.80 NPSR1 (0.57) ALDH1A1MEN1KMT2AHPGDNPSR1

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