SCHEMBL8045485

SCHEMBL8045485

O=C(O)c1ccc(-n2nnnc2Sc2nc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HPGD P15428 6/20 0.57
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
EP300 Q09472 1/20 0.52
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
POLB P06746 3/20 0.49
MAPK1 P28482 3/20 0.49
PPARG P37231 1/20 0.49
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL8033820 0.89 ALDH1A1 (0.49) ALDH1A1HPGDTSHRL3MBTL1EP300
SCHEMBL8046562 0.88 ALDH1A1 (0.70) ALDH1A1HPGDTSHRL3MBTL1KMT2A
SCHEMBL8044411 0.88 KMT2A (0.55) ALDH1A1HPGDTSHRL3MBTL1EP300
SCHEMBL8042553 0.84 HPGD (0.48) ALDH1A1HPGDTSHRL3MBTL1EP300
SCHEMBL8046524 0.84 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1KMT2A
SCHEMBL8045992 0.83 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1KMT2A
SCHEMBL8048432 0.83 MEN1 (0.47) ALDH1A1HPGDTSHRL3MBTL1EP300
SCHEMBL8032713 0.83 HPGD (0.47) ALDH1A1HPGDTSHRL3MBTL1EP300
SCHEMBL8044915 0.82 RECQL (0.54) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL8043014 0.82 RECQL (0.49) ALDH1A1HPGDEP300KMT2AMEN1

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