SCHEMBL16660924

SCHEMBL16660924

CS(C)(C)CCOCn1nc(-c2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
DGAT1 O75907 3/20 0.39
AHR P35869 6/20 0.36
TP53 P04637 1/20 0.34
PTGS2 P35354 1/20 0.32
MAPT P10636 3/20 0.32
PLCG1 P19174 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16660927 0.84 DGAT1 (0.53) NR1H2NR1H3DGAT1AHRTP53
SCHEMBL21064877 0.84 DGAT1 (0.56) NR1H2NR1H3DGAT1AHRTP53
SCHEMBL21939062 0.81 DGAT1 (0.30) DGAT1
SCHEMBL18552901 0.80 NR1H2 (0.40) NR1H2NR1H3DGAT1AHRPTGS2
SCHEMBL16661188 0.79 NR1H2 (0.41) NR1H2NR1H3DGAT1AHRTP53
SCHEMBL25791975 0.78 NR1H3 (0.57) NR1H2NR1H3AHRTP53MAPT
SCHEMBL16661370 0.78 DGAT1 (0.39) DGAT1L3MBTL1
SCHEMBL16661332 0.75 NR1H2 (0.34) NR1H2NR1H3AHRL3MBTL1
SCHEMBL21064876 0.72 DGAT1 (0.51) DGAT1
SCHEMBL20169321 0.71 DGAT1 (0.56) DGAT1PTGS2

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
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed