SCHEMBL8050964

SCHEMBL8050964

COc1ccc(O)c(-c2nnc(Sc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cs3)n2-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
RECQL P46063 2/20 0.39
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 3/20 0.37
MT-CO2 P00403 1/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ANXA2 P07355 1/20 0.36

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
SCHEMBL8044539 0.90 ALPG (0.44) ALPGCDC25ACDC25BRECQLCYP19A1
SCHEMBL8052290 0.85 GLA (0.44) ALPGCDC25ACDC25BCYP19A1PTGS2
SCHEMBL8032500 0.85 ALDH1A1 (0.42) PTGS2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL8033695 0.83 ALPG (0.44) ALPGCDC25ACDC25BRECQLCYP19A1
SCHEMBL8046012 0.82 NPSR1 (0.46) PTGS2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL8033827 0.80 TSHR (0.52) RECQLPTGS2NPSR1ALDH1A1KMT2A
SCHEMBL8044252 0.79 ATM (0.41) ALDH1A1KMT2AHPGDMAPK1EIF4E
SCHEMBL8042871 0.78 TSHR (0.44) RECQLPTGS2NPSR1ALDH1A1KMT2A
SCHEMBL8044342 0.78 ALPG (0.43) ALPGCDC25ACDC25BRECQLNPSR1
SCHEMBL8043910 0.78 ALPG (0.46) ALPGCDC25ACDC25BNPSR1ALDH1A1

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