SCHEMBL8044539

SCHEMBL8044539

COc1ccc(O)c(-c2nnc(Sc3nc(-c4ccccc4)cs3)n2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
PTGS2 P35354 1/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MT-CO2 P00403 1/20 0.40

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
SCHEMBL8052290 0.94 GLA (0.44) ALPGCDC25ACDC25BPTGS2HPGD
SCHEMBL8050964 0.90 ALPG (0.40) ALPGCDC25ACDC25BPTGS2HPGD
SCHEMBL8033695 0.89 ALPG (0.44) ALPGCDC25ACDC25BPTGS2HPGD
SCHEMBL8043910 0.83 ALPG (0.46) ALPGCDC25ACDC25BHPGDMAPT
SCHEMBL8043642 0.83 MAPT (0.52) ALPGCDC25ACDC25BPTGS2HPGD
SCHEMBL8032745 0.82 MEN1 (0.45) ALPGCDC25ACDC25BHPGDMAPT
SCHEMBL8709945 0.82 ALDH1A1 (0.52) HPGDMAPTALDH1A1KMT2AMEN1
SCHEMBL8033784 0.81 ALPG (0.42) ALPGCDC25ACDC25BPTGS2HPGD
SCHEMBL8041786 0.80 NPSR1 (0.55) HPGDMAPTALDH1A1RECQLKMT2A
SCHEMBL8032437 0.79 ALPG (0.42) ALPGCDC25ACDC25BPTGS2HPGD

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