SCHEMBL6827693

SCHEMBL6827693

Nn1c(C2CCCCC2)cc(-n2cnc(-c3ccccc3)c2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NLRP3 Q96P20 1/20 0.43
ADORA1 P30542 5/20 0.37
ADORA3 P0DMS8 3/20 0.37
ATM Q13315 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ADORA2A P29274 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 1/20 0.35
CES2 O00748 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAT2A P31153 1/20 0.34
SRC P12931 1/20 0.33

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
SCHEMBL6827215 0.81 NR1I2 (0.38) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL7131529 0.79 MLLT3 (0.40) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL6924594 0.78 ALDH1A1 (0.35)
SCHEMBL6920288 0.76 L3MBTL1 (0.53) RAB9AATMLMNATP53SMN1; SMN2
SCHEMBL6827332 0.76 NPC1 (0.44) NPC1RAB9ANLRP3ADORA1ADORA3
SCHEMBL6919056 0.76 MLLT3 (0.44) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL7131791 0.75 MLLT3 (0.39) NPC1RAB9AATMFAAHLMNA
SCHEMBL6923871 0.75 L3MBTL1 (0.54) NPC1RAB9AATMLMNATP53
SCHEMBL6827816 0.74 HTT (0.43) ATMTP53
SCHEMBL6827359 0.73 PGR (0.38) CRBNLMNA

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed