SCHEMBL3266992

SCHEMBL3266992

Cn1c(=O)n(CC2CC2)c(=O)c2c(C(C(N)=O)c3nccs3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.35
USP1 O94782 2/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL3263348 0.87 TRPA1 (0.36) TRPA1NPC1PKM
SCHEMBL3266719 0.80 KMT2A (0.35) CNR2TP53
SCHEMBL3264313 0.71 TRPA1 (0.36) TRPA1NPC1PKM
SCHEMBL1800384 0.70 PDE5A (0.44) CNR2CRHR1CRHR2LMNAPOLB
SCHEMBL9960985 0.69 NPC1 (0.36) NPC1PKM
SCHEMBL1801256 0.68 CNR2 (0.43) CNR2TRPA1TNKSTNKS2
SCHEMBL662588 0.68 CTSA (0.40) LMNANPC1POLB
SCHEMBL4562114 0.67 PORCN (0.44) MAPT
SCHEMBL667099 0.66 CTSA (0.46) LMNANPC1PKM
SCHEMBL1799098 0.65 CNR2 (0.42) CNR2CRHR1CRHR2LMNAPKM

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-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO claimed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed