SCHEMBL256664

SCHEMBL256664

Cc1cccc(C#Cc2ccc(C)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.50
FFAR1 O14842 4/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL9967710 0.81 GRM5 (0.46) GRM5FFAR1CA12CA1CA2
SCHEMBL10254848 0.80 GRM5 (0.45) GRM5FFAR1CA12CA1CA2
SCHEMBL30469481 0.80 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL30469478 0.80 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL4562089 0.80 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL4946180 0.74 GRM5 (0.62) GRM5FFAR1CA12CA1CA2
SCHEMBL7132620 0.72 GRM5 (0.59) GRM5FFAR1CA12CA1CA2
SCHEMBL23704113 0.70 ACHE (0.57) GRM5FFAR1CA12CA1CA2
SCHEMBL28841296 0.69 KCNH2 (0.59) GRM5FFAR1CA12CA1CA2
SCHEMBL25128133 0.69 GRM5 (0.56) GRM5FFAR1CA12CA1CA2

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-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed