SCHEMBL14744357

SCHEMBL14744357

Nc1ccc(-c2ccccc2CC=O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
DPP4 P27487 1/20 0.42
CYP3A4 P08684 6/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
PLA2G7 Q13093 1/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.39
PTPRC P08575 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL1515825 0.81 DPP4 (0.57) CSNK2A2CSNK2BCSNK2A1CSNK2A3DPP4
SCHEMBL479743 0.78 CYP3A4 (0.46) CYP3A4NFKB1PMP22ALDH1A1SMN1; SMN2
SCHEMBL14744534 0.77 MAPT (0.48) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3467784 0.76 CYP3A4 (0.48) CYP3A4NFKB1PMP22ALDH1A1SMN1; SMN2
SCHEMBL7969110 0.75 PLA2G7 (0.66) DPP4CYP3A4NFKB1PMP22PLA2G7
SCHEMBL27150508 0.74 DPP4 (0.44) CSNK2A2CSNK2BCSNK2A1CSNK2A3DPP4
SCHEMBL30839727 0.73 CYP3A4 (0.65) CYP3A4NFKB1PMP22PLA2G7ALDH1A1
SCHEMBL302092 0.73 CYP3A4 (0.65) CYP3A4NFKB1PMP22PLA2G7ALDH1A1
SCHEMBL5579085 0.72 GRM2 (0.40) CSNK2A2CSNK2BCSNK2A1CSNK2A3TP53
SCHEMBL6898343 0.71 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1CSNK2A3DPP4

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed