SCHEMBL8033844

SCHEMBL8033844

O=S(=O)(Nc1ccccc1)c1ccc(-n2nnnc2Sc2nc3c(Cl)cccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 9/20 0.40
MAPT P10636 8/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 4/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
ALPG P10696 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8033095 0.86 ALDH1A1 (0.52) EP300KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8048461 0.85 PTGS2 (0.43) EP300ALDH1A1MAPTLMNAKMT2A
SCHEMBL8042804 0.84 ALDH1A1 (0.49) EP300ALDH1A1MAPTLMNAKMT2A
SCHEMBL8045773 0.81 EP300 (0.45) EP300KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8041878 0.81 KEAP1 (0.45) EP300KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8032713 0.80 HPGD (0.47) EP300ALDH1A1MAPTLMNAKMT2A
SCHEMBL8050711 0.80 ALDH1A1 (0.41) EP300ALDH1A1MAPTLMNAKMT2A
SCHEMBL8048101 0.80 HSP90AA1 (0.42) EP300ALDH1A1MAPTLMNAKMT2A
SCHEMBL8051779 0.80 ALDH1A1 (0.47) EP300KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8044707 0.79 KEAP1 (0.43) EP300KEAP1NFE2L2ALDH1A1MAPT

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