SCHEMBL19781006

SCHEMBL19781006

c1ccc2c(c1)Sc1cc3[nH]c4cc5ccccc5cc4c3cc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NOX1 Q9Y5S8 4/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AHR P35869 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL29385786 0.82 AHR (0.56) MAPTGAANPC1RAB9AAHR
SCHEMBL10743051 0.82 AHR (0.56) MAPTGAANPC1RAB9AAHR
SCHEMBL12219473 0.80 AHR (0.61) MAPTGAANPC1RAB9AAHR
SCHEMBL19731074 0.80 AHR (0.61) MAPTGAANPC1RAB9AAHR
SCHEMBL12219479 0.80 AHR (0.61) MAPTGAANPC1RAB9AAHR
SCHEMBL18493788 0.79 AHR (0.68) MAPTAHRMEN1KMT2AKDM4E
SCHEMBL19781058 0.78 CDK4 (0.45) MAPTNOX1GAAMAPK1NPC1
SCHEMBL19781205 0.78 KIF11 (0.57) RAB9AAHRMEN1KMT2AKDM4E
SCHEMBL12219459 0.78 AHR (0.52) MAPTGAANPC1RAB9AAHR
SCHEMBL22678748 0.78 AHR (0.52) MAPTGAANPC1RAB9AAHR

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