SCHEMBL16334307

SCHEMBL16334307

COc1ccc(N2CCN(c3ncc(N)cc3C#N)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
ALDH1A1 P00352 7/20 0.68
HSD17B10 Q99714 4/20 0.66
GAA P10253 2/20 0.66
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
DHFR P00374 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
HPGD P15428 4/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CLK1 P49759 1/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
RUNX1 Q01196 1/20 0.46

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
SCHEMBL16334287 0.83 DRD2 (0.55) MAPTALDH1A1HSD17B10GAADRD2
SCHEMBL30852648 0.79 KDM4E (0.49) ALDH1A1KMT2AMEN1HPGDRXFP1
SCHEMBL23168043 0.77 CNR2 (0.50) MAPTALDH1A1HSD17B10GAAKMT2A
SCHEMBL30152422 0.77 CNR2 (0.50) MAPTALDH1A1HSD17B10GAAKMT2A
SCHEMBL14923786 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAKMT2AHPGD
SCHEMBL30852546 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAKMT2AHPGD
SCHEMBL22279004 0.76 CNR2 (0.52) MAPTALDH1A1HSD17B10GAAKMT2A
SCHEMBL8931652 0.74 MAPT (0.69) MAPTALDH1A1HSD17B10GAADRD2
SCHEMBL16245768 0.74 ALDH1A1 (0.51) MAPTALDH1A1GAADRD2HTR2A
SCHEMBL16334970 0.74 MAPT (0.50) MAPTALDH1A1HSD17B10GAADRD2

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-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed