SCHEMBL8133449

SCHEMBL8133449

COc1ccc2sc(Cc3ccccc3)c(CC#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
PTPN1 P18031 7/20 0.40
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G2A P14555 1/20 0.38
CLK1 P49759 2/20 0.37
DYRK1A Q13627 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL8127298 0.92 L3MBTL1 (0.40) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8131878 0.88 CLK1 (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8117069 0.87 NR1D1 (0.43) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL8131518 0.82 PTPN1 (0.36) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL8132743 0.82 RAB9A (0.37) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8132246 0.81 CNR2 (0.43) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8118630 0.80 ATM (0.46) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8117486 0.75 MTNR1A (0.38) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8125097 0.75 MTNR1A (0.62) KDM4EALDH1A1
SCHEMBL8124872 0.74 MTNR1A (0.51) KDM4EALDH1A1CLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed