SCHEMBL8046524

SCHEMBL8046524

Brc1ccc(-n2nnnc2Sc2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HPGD P15428 4/20 0.58
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 2/20 0.49
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL8046562 0.90 ALDH1A1 (0.70) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8048209 0.86 ALDH1A1 (0.56) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8045992 0.85 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8048239 0.85 ALDH1A1 (0.55) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8043211 0.85 ALDH1A1 (0.69) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8045485 0.84 ALDH1A1 (0.57) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8042684 0.83 ALDH1A1 (0.53) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8044849 0.82 ALDH1A1 (0.49) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8048101 0.81 HSP90AA1 (0.42) ALDH1A1HPGDTSHRL3MBTL1GAA
SCHEMBL8048777 0.81 ALDH1A1 (0.56) ALDH1A1HPGDTSHRL3MBTL1GAA

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