SCHEMBL8032745

SCHEMBL8032745

COc1ccc(O)c(-c2nnc(Sc3nccs3)n2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALPG P10696 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
NPSR1 Q6W5P4 4/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8033695 0.85 ALPG (0.44) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8032437 0.82 ALPG (0.42) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8044539 0.82 ALPG (0.44) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8719307 0.81 TP53 (0.48) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL8043271 0.81 ALPG (0.45) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8043642 0.80 MAPT (0.52) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8033784 0.80 ALPG (0.42) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8044593 0.79 ALPG (0.42) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8043910 0.79 ALPG (0.46) MEN1KMT2AALPGCDC25ACDC25B
SCHEMBL8042679 0.79 MAPK8 (0.43) MEN1KMT2AALPGCDC25ACDC25B

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