SCHEMBL8052290

SCHEMBL8052290

COc1ccc(O)c(-c2nnc(Sc3nc(-c4ccc(Cl)cc4)cs3)n2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
STAT3 P40763 1/20 0.44
ALPG P10696 2/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS2 P35354 2/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 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
SCHEMBL8044539 0.94 ALPG (0.44) ALPGLMNANPSR1SMN1; SMN2USP2
SCHEMBL8050964 0.85 ALPG (0.40) ALPGLMNANPSR1SMN1; SMN2HTT
SCHEMBL8033695 0.85 ALPG (0.44) ALPGLMNANPSR1SMN1; SMN2TSHR
SCHEMBL8716316 0.83 TP53 (0.54) GLALMNANPSR1SMN1; SMN2USP2
SCHEMBL8043910 0.80 ALPG (0.46) ALPGLMNANPSR1SMN1; SMN2TSHR
SCHEMBL8052217 0.79 LMNA (0.52) GLAALPGLMNANPSR1SMN1; SMN2
SCHEMBL8043642 0.79 MAPT (0.52) ALPGLMNANPSR1SMN1; SMN2USP2
SCHEMBL8032437 0.79 ALPG (0.42) GLAALPGLMNANPSR1SMN1; SMN2
SCHEMBL8032745 0.79 MEN1 (0.45) ALPGLMNANPSR1SMN1; SMN2TSHR
SCHEMBL8045447 0.77 POLA1 (0.41) ALPGLMNANPSR1SMN1; SMN2USP2

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