SCHEMBL8050309

SCHEMBL8050309

COc1ccc(O)c(-c2nnc(Sc3nc4ccc(S(C)(=O)=O)cc4s3)n2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
JAK2 O60674 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPG P10696 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 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
SCHEMBL8043642 0.87 MAPT (0.52) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8042199 0.87 ALPG (0.46) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL8033875 0.86 MAPT (0.45) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8051559 0.85 KDM4E (0.45) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8051866 0.81 NPSR1 (0.46) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8044593 0.80 ALPG (0.42) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL8051030 0.79 HTT (0.43) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8043083 0.79 HTT (0.43) ALDH1A1MAPTLMNATP53GAA
SCHEMBL8051920 0.79 TSHR (0.51) ALDH1A1MAPTLMNATP53HPGD
SCHEMBL8044446 0.79 KMT2A (0.41) ALDH1A1MAPTLMNATP53GAA

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed