SCHEMBL16670732

SCHEMBL16670732

NCc1ccc(Cl)c(CC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PNMT P11086 3/20 0.38
TAAR1 Q96RJ0 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.36
LOXL3 P58215 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL8847353 0.80 PNMT (0.50) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL5847395 0.79 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL27271778 0.79 CSNK2A1 (0.45) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL3467784 0.79 CYP3A4 (0.48) PNMTTAAR1
SCHEMBL31477448 0.77 CA2 (0.53)
SCHEMBL3507727 0.76 TDP1 (0.43)
SCHEMBL15047137 0.75 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL27859143 0.75 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL23891902 0.74 AOC1 (0.34) CSNK2A1CSNK2A2CSNK2BCSNK2A3LOXL2
SCHEMBL3454581 0.73 ALDH1A1 (0.37)

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-2015059618-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-30 WO disclosed