SCHEMBL8045447

SCHEMBL8045447

COc1ccc(O)c(-c2nnc(Sc3nc4c(Cl)cccc4s3)n2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.41
ALPG P10696 2/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
RECQL P46063 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL8043642 0.86 MAPT (0.52) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8041927 0.83 TP53 (0.47) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8033784 0.81 ALPG (0.42) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8032437 0.81 ALPG (0.42) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8044342 0.80 ALPG (0.43) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8042393 0.80 ALPG (0.40) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8033695 0.80 ALPG (0.44) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8042199 0.79 ALPG (0.46) ALPGCDC25ACDC25BMEN1KMT2A
SCHEMBL8047465 0.79 NPSR1 (0.47) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8050309 0.78 ALDH1A1 (0.44) ALPGCDC25ACDC25BMEN1KMT2A

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