SCHEMBL13345951

SCHEMBL13345951

CCCCOC(=O)c1nc(-c2ccccc2)sc1CBr

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX5 P09917 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPM8 Q7Z2W7 2/20 0.46
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
TP53 P04637 1/20 0.45
DDX3X O00571 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2887195 0.88 L3MBTL1 (0.62) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL13345947 0.84 RARB (0.53) L3MBTL1TSHRTDP1ALOX5CYP3A4
SCHEMBL13345606 0.82 L3MBTL1 (0.51) L3MBTL1ALOX5TRPM8
SCHEMBL2482853 0.79 L3MBTL1 (0.57) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL12030404 0.78 L3MBTL1 (0.55) L3MBTL1ALOX5ALDH1A1TRPM8
SCHEMBL12049697 0.76 CDC7 (0.64) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL2483841 0.75 L3MBTL1 (0.59) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL22939973 0.75 L3MBTL1 (0.62) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL12049696 0.75 L3MBTL1 (0.58) L3MBTL1ALOX5ALDH1A1TRPM8CDC7
SCHEMBL12049565 0.74 L3MBTL1 (0.64) L3MBTL1ALOX5ALDH1A1TRPM8CDC7

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
WO-2010071853-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-06-24 WO disclosed