SCHEMBL8042693

SCHEMBL8042693

CC(C)(C)c1nc(Sc2nnnn2-c2cccs2)sc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.30
RAB9A P51151 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
SCHEMBL8042997 0.85 ALDH1A1 (0.36) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8050561 0.84 ALDH1A1 (0.34) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8041914 0.83 ALDH1A1 (0.33) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8043561 0.83 ALDH1A1 (0.52) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8047501 0.82 L3MBTL1 (0.37) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8042628 0.81 ALDH1A1 (0.41) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8043951 0.81 TP53 (0.32) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8050031 0.80 ALDH1A1 (0.31) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8042815 0.80 ALDH1A1 (0.31) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8044466 0.78 ALDH1A1 (0.45) ALDH1A1HTTMAPTKMT2ALMNA

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