SCHEMBL19781007

SCHEMBL19781007

c1ccc2c(c1)Sc1ccc3c([nH]c4cc5ccccc5cc43)c1S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 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
SCHEMBL17876528 0.82 KIF11 (0.51) KIF11HTR2BHTR5AMAPTMAPK1
SCHEMBL19777160 0.79 BCHE (0.42) NPSR1NOX1KDM4EMEN1KMT2A
SCHEMBL19781206 0.78 KIF11 (0.50) KIF11MAPTNPC1GAAMAPK1
SCHEMBL17775035 0.78 KIF11 (0.55) KIF11HTR2BHTR5AMAPTNPC1
SCHEMBL19781006 0.77 MAPT (0.42) KIF11HTR2BHTR5AMAPTNPC1
SCHEMBL19781060 0.77 KIF11 (0.41) KIF11MAPTNPC1GAAMAPK1
SCHEMBL18488864 0.75 KIF11 (0.53) KIF11HTR2BHTR5AMAPTMAPK1
SCHEMBL19781205 0.74 KIF11 (0.57) KIF11HTR2BHTR5ARAB9AKDM4E
SCHEMBL19777172 0.73
SCHEMBL24806927 0.72 KIF11 (0.63) KIF11HTR2BHTR5AAHRTOP2A

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-2018012763-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-01-18 WO disclosed