SCHEMBL17384166

SCHEMBL17384166

O=C1c2ccccc2C(=O)N1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CHRM5 P08912 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MASP2 O00187 1/20 0.43
F2 P00734 1/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NR1H3 Q13133 1/20 0.40

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
SCHEMBL15846180 0.85 KMT2A (0.65) GAACHRM5ALDH1A1MEN1MAPT
SCHEMBL3066754 0.82 GAA (0.65) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL6278000 0.81 RECQL (0.58) GAACHRM5ALDH1A1MAPTMASP2
SCHEMBL6179513 0.80 GAA (0.57) GAAALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL5640958 0.79 GAA (0.56) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL7957008 0.77 ADRA1D (0.62) GAACHRM5ALDH1A1MAPTKMT2A
SCHEMBL22326350 0.75 GAA (0.88) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL31712162 0.74 GAA (0.62) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL29739823 0.74 GAA (0.56) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL3568366 0.74 GAA (0.56) GAAALDH1A1MEN1MAPTKMT2A

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-2015199065-A1 PYRIDINE COMPOUND AND USE OF SAME 日本曹達株式会社 2015-12-30 WO disclosed