SCHEMBL29795644

SCHEMBL29795644

CCOC(=O)c1cc(C#N)c(O)nc1C(F)(F)F.N#Cc1cc(C(=O)O)c(C(F)(F)F)nc1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
MAPT P10636 1/20 0.60
ALDH1A1 P00352 4/20 0.59
P2RY12 Q9H244 12/20 0.52
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL23120427 0.95 KDM4E (0.64) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL23120425 0.86 KDM4E (0.40) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL3589122 0.84 KDM4E (0.63) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL30918308 0.84 KDM4E (0.63) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL29795690 0.82 KDM4E (0.66) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL10254012 0.80 KDM4E (0.62) KDM4EMAPTALDH1A1HSD17B10NPSR1
SCHEMBL29795714 0.79 KDM4E (0.50) KDM4EMAPTALDH1A1HSD17B10NPSR1
SCHEMBL3932119 0.79 KDM4E (0.68) KDM4EMAPTALDH1A1P2RY12HSD17B10
SCHEMBL16616673 0.79 KDM4E (0.72) KDM4EMAPTALDH1A1HSD17B10NPSR1
SCHEMBL6731339 0.77 KDM4E (0.64) KDM4EMAPTALDH1A1P2RY12NPSR1

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
EP-4031545-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-07-27 EP disclosed