SCHEMBL8045200

SCHEMBL8045200

CS(=O)(=O)c1cnc(Sc2nnnn2-c2ccc(Br)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8041889 0.88 LMNA (0.33) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8050190 0.83 ALDH1A1 (0.40) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8044381 0.83 ALDH1A1 (0.36) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8042545 0.82 ALDH1A1 (0.36) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8048309 0.81 ALDH1A1 (0.52) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8050406 0.80 ALDH1A1 (0.33) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8047788 0.80 LMNA (0.31) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8034225 0.79 ALDH1A1 (0.38) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL8050613 0.78 MAPT (0.46) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8033930 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHTTHSD17B10LMNA

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