SCHEMBL18458436

SCHEMBL18458436

Cc1ccccc1Nc1scc(-c2ccccc2F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MELK Q14680 1/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2B P29275 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
ADORA2A P29274 2/20 0.35
LMNA P02545 2/20 0.34
CCR4 P51679 1/20 0.34
MAPK1 P28482 2/20 0.33
CACNA1B Q00975 2/20 0.33
APBA1 Q02410 2/20 0.33
METAP2 P50579 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL18458659 0.83 ALDH1A1 (0.41) KDM4EMEN1KMT2AHSD17B10LMNA
SCHEMBL18458656 0.81 ADORA1 (0.49) MAPTADORA1ADORA2BKDM4EMEN1
SCHEMBL11808195 0.72 KMT2A (0.36) ADORA1ADORA2BKDM4EMEN1KMT2A
SCHEMBL28148660 0.71 ACHE (0.45) ADORA1ADORA2BKDM4EKMT2AHSD17B10
SCHEMBL18458833 0.68 ALDH1A1 (0.33) ADORA1ADORA2BKDM4EKMT2AHSD17B10
SCHEMBL7870059 0.66 MEN1 (0.50) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL21917353 0.65 HTT (0.50) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL18459062 0.65 MAPT (0.43) MAPTADORA1ADORA2BKDM4EKMT2A
SCHEMBL14928325 0.65 ACHE (0.54) MAPTMEN1KMT2AMAPK1METAP2
SCHEMBL6343725 0.65 ACHE (0.45) ADORA1ADORA2BKDM4EKMT2AHSD17B10

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