SCHEMBL18458448

SCHEMBL18458448

CCN(c1ccccc1)c1scc(-c2ccccc2F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
ADORA2A P29274 2/20 0.34
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 5/20 0.32
HPGD P15428 3/20 0.32
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL18458657 0.85 MAPT (0.40) MAPTCRHBPCRHR2NPSR1ADORA1
SCHEMBL18458833 0.84 ALDH1A1 (0.33) ADORA1ADORA2BGRIA2GRIA4ADORA2A
SCHEMBL18458452 0.84 MAPT (0.43) MAPTCRHBPCRHR2NPSR1ADORA1
SCHEMBL18458832 0.79 SQOR (0.39) MAPTCRHBPCRHR2NPSR1ADORA1
SCHEMBL18458789 0.78 MAPT (0.39) MAPTCRHBPCRHR2NPSR1ADORA1
SCHEMBL20153667 0.75 ALDH1A1 (0.34) ALDH1A1HSD17B10MAPK1
SCHEMBL18458664 0.70 ALDH1A1 (0.35) MAPTCRHBPCRHR2NPSR1GRIA2
SCHEMBL20153669 0.70 ALDH1A1 (0.35) MAPTNPSR1ADORA1GRIA2GRIA4
SCHEMBL18458656 0.67 ADORA1 (0.49) MAPTNPSR1ADORA1ADORA2BADORA2A
SCHEMBL18458457 0.65 ALDH1A1 (0.44) MAPTCRHBPCRHR2NPSR1GRIA4

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-2017018617-A1 NOVEL COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME, AND COLOR FILTER 삼성에스디아이 주식회사 2017-02-02 WO disclosed