SCHEMBL13152185

SCHEMBL13152185

CCn1c(-c2ccc(OCCN)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.49
GRIK1 P39086 1/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 3/20 0.44
HASPIN Q8TF76 6/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE5A O76074 1/20 0.37
DYRK2 Q92630 1/20 0.37
ESR1 P03372 2/20 0.37
METAP2 P50579 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL13152059 0.91 GRIK2 (0.49) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152064 0.91 GRIK2 (0.49) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152426 0.89 GRIK2 (0.48) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152570 0.89 GRIK2 (0.52) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152544 0.89 GRIK2 (0.60) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152441 0.87 GRIK2 (0.46) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152222 0.86 GRIK2 (0.46) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10252659 0.86 GRIK2 (0.54) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL979769 0.84 GRIK2 (0.48) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152724 0.84 GRIK2 (0.60) GRIK2GRIK1KDM4EALDH1A1MAPK1

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed