SCHEMBL16631462

SCHEMBL16631462

CCc1cc2ccc[nH]c-2nc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
CDK2 P24941 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE5A O76074 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 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
SCHEMBL16631414 0.82 NR1I3 (0.35) SMN1; SMN2TP53L3MBTL1TRPA1ATM
SCHEMBL18081960 0.79 RAB9A (0.40) SMN1; SMN2NPC1RAB9AATMERAP1
SCHEMBL16631769 0.76 DCUN1D1 (0.33) TP53NPC1RAB9AATMERAP1
SCHEMBL18080446 0.75 NPC1 (0.32) TP53TRPA1NPC1RAB9AATM
SCHEMBL16631495 0.73 DAO (0.34) SMN1; SMN2TP53RAB9AGAAMAPT
SCHEMBL16631766 0.73 NAPRT (0.49) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL16631471 0.73 MAPK1 (0.37) SMN1; SMN2TP53L3MBTL1TRPA1GAA
SCHEMBL16631775 0.72 KDM4E (0.42) GAAMAPTKDM4EALDH1A1GABRA1
SCHEMBL6436382 0.67 NISCH (0.41) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL11644693 0.66 SMN1; SMN2 (0.46) SMN1; SMN2TP53NPC1RAB9AGAA

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed