SCHEMBL21741609

SCHEMBL21741609

C/C(N)=C\c1ccc2scnc2c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8580366 0.71 CYP3A4 (0.34) ALDH1A1HSD17B10
SCHEMBL5544044 0.71 ALDH1A1 (0.33) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL7458773 0.70 ALDH1A1 (0.35) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7206719 0.70 ADRA2A (0.36) NPC1RAB9A
SCHEMBL7206716 0.68 NPC1 (0.33) NPC1RAB9A
SCHEMBL5544035 0.67 ALDH1A1 (0.33) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30002773 0.67 MAPT (0.41) NPC1RAB9AL3MBTL1ALDH1A1HSD17B10
SCHEMBL15278576 0.67 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL6129371 0.67 MAPT (0.41) NPC1RAB9AL3MBTL1ALDH1A1HSD17B10
SCHEMBL5160632 0.66 ALDH1A1 (0.46) NPC1RAB9AKDM4EHKDC1TDP1

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-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed