SCHEMBL3264475

SCHEMBL3264475

Cn1c(=O)c2c(C(C(N)=O)N3C=CSC3)cccc2n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.33
TRPV4 Q9HBA0 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL9972900 0.68 ALDH1A1 (0.44) TRPA1ALDH1A1LMNAMAPT
SCHEMBL3263348 0.67 TRPA1 (0.36) TRPA1TRPV4
SCHEMBL3264313 0.65 TRPA1 (0.36) TRPA1TRPV4
SCHEMBL13537668 0.63 TRPA1 (0.50) TRPA1TRPV4
SCHEMBL1801079 0.62 PIK3CD (0.46) ALDH1A1MAPT
SCHEMBL3264317 0.62 FFAR2 (0.47) TRPA1HSD17B10LMNAHTT
SCHEMBL20886848 0.61 GRM4 (0.47) KDM4EALDH1A1HSD17B10BRD4BRPF1
SCHEMBL3234692 0.60 TRPA1 (0.50) TRPA1TRPV4
SCHEMBL22904134 0.60 MAPT (0.46) TRPA1TRPV4ALDH1A1BRPF1MAPT
SCHEMBL1801280 0.60 PIK3CD (0.46) TRPA1KDM4EALDH1A1HSD17B10LMNA

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