SCHEMBL6667486

SCHEMBL6667486

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)N=C(C(=O)O)CS2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
DPP4 P27487 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GPR18 Q14330 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
BRD4 O60885 1/20 0.33
P2RY14 Q15391 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
SCHEMBL6678529 0.80 ALDH1A1 (0.37) P2RX3ALDH1A1TSHRL3MBTL1PTGDR2
SCHEMBL6663839 0.79 ALDH1A1 (0.36) P2RX3ALDH1A1TSHRL3MBTL1PTGDR2
SCHEMBL6680997 0.72 S1PR1 (0.38) P2RX3ALDH1A1TSHRL3MBTL1PTGDR2
SCHEMBL6700331 0.70 TRPC5 (0.38) P2RX3PTGDR2GRIN1GRIN2BDPP4
SCHEMBL6699400 0.70 PTGS1 (0.40) PTGDR2GRIN1GRIN2BDPP4PTGS1
SCHEMBL6703224 0.70 PTGS1 (0.41) PTGDR2GRIN1GRIN2BPTGS1PTGS2
SCHEMBL6702361 0.69 NPSR1 (0.43) ALDH1A1PTGDR2GRIN1GRIN2BDPP4
SCHEMBL6703218 0.69 NPSR1 (0.39) P2RX3PTGDR2GRIN1GRIN2BDPP4
SCHEMBL6705127 0.69 PTGS1 (0.38) P2RX3ALDH1A1TSHRL3MBTL1PTGDR2
SCHEMBL6466057 0.68 MMP13 (0.57) PTGDR2PTGS1PTGS2

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-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed