SCHEMBL21681978

SCHEMBL21681978

NC(=O)c1ccc2ccccc2c1-c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
ILK Q13418 5/20 0.44
WDR5 P61964 1/20 0.43
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
APP P05067 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL29532912 0.79 NPC1 (0.55) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL804637 0.79 RAB9A (0.51) NPC1RAB9AILKMAPTTDP1
SCHEMBL21682234 0.78 LIMK1 (0.53) NPC1RAB9AILKMAPTTDP1
SCHEMBL8854935 0.77 RAB9A (0.50) NPC1RAB9AILKMAPTTDP1
SCHEMBL6748668 0.77 WDR5 (0.68) NPC1WDR5MAPTTDP1POLB
SCHEMBL5708178 0.77 KDM4E (0.53) NPC1RAB9AILKMAPTTDP1
SCHEMBL24156044 0.76 CYP2A6 (0.46) NPC1RAB9AILKMAPTTDP1
SCHEMBL5027039 0.76 MAPT (0.63) NPC1RAB9AILKMAPTTDP1
SCHEMBL2397424 0.75 NPC1 (0.56) NPC1RAB9AILKMAPTTDP1
SCHEMBL21681975 0.75 MAPT (0.51) NPC1RAB9AILKMAPTTDP1

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
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO claimed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO disclosed