SCHEMBL9607522

SCHEMBL9607522

C=Nn1c(N2CCC(C)CC2)c(-c2c(F)cc(F)cc2F)c(Cl)n/c1=N/C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 2/20 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
SCHEMBL12334847 0.78 GRM5 (0.31) GRM5
SCHEMBL6207550 0.73 GRM5 (0.33) MAPK1HSD17B10GRM5
SCHEMBL81282 0.73 TSHR (0.41)
SCHEMBL5250886 0.73 GRM5 (0.34) MAPK1HSD17B10GRM5
SCHEMBL4639035 0.72 GRM5 (0.34) MAPK1HSD17B10GRM5
SCHEMBL5955395 0.69 GRM5 (0.34) GRM5
SCHEMBL13906840 0.68 GRM5 (0.36) MAPK1HSD17B10GRM5
SCHEMBL20439999 0.68 EGLN2 (0.42)
SCHEMBL5780048 0.68 GRM5 (0.39) GRM5
SCHEMBL6207910 0.68 GRM5 (0.37) GRM5

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-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed