SCHEMBL8042393

SCHEMBL8042393

COc1ccc(O)c(-c2nnc(Sc3nc(C(C)(C)C)c(Br)s3)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
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 5/20 0.36
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.36
GUSB P08236 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8033784 0.89 ALPG (0.42) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8716255 0.83 TP53 (0.43) KDM4ELMNACYP3A4HTTALDH1A1
SCHEMBL8044342 0.82 ALPG (0.43) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8043642 0.81 MAPT (0.52) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8033695 0.80 ALPG (0.44) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8045447 0.80 POLA1 (0.41) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8050259 0.78 NPSR1 (0.48) KDM4ELMNACYP3A4ALDH1A1MEN1
SCHEMBL8044539 0.78 ALPG (0.44) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8032437 0.78 ALPG (0.42) ALPGCDC25ACDC25BKDM4ELMNA
SCHEMBL8032745 0.78 MEN1 (0.45) ALPGCDC25ACDC25BKDM4ELMNA

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