SCHEMBL8045992

SCHEMBL8045992

c1ccc(Oc2ccc(-n3nnnc3Sc3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.58
HPGD P15428 4/20 0.58
TSHR P16473 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
USP2 O75604 3/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 6/20 0.49
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
NPC1 O15118 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 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 0.89 ALDH1A1 (0.70) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8043211 0.89 ALDH1A1 (0.69) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8042553 0.85 HPGD (0.48) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8046524 0.85 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8050711 0.84 ALDH1A1 (0.41) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8045309 0.83 ALDH1A1 (0.51) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL8050410 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8710713 0.83 ALDH1A1 (0.42) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8045485 0.83 ALDH1A1 (0.57) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8048209 0.83 ALDH1A1 (0.56) ALDH1A1HPGDTSHRL3MBTL1RAB9A

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