SCHEMBL3672243

SCHEMBL3672243

CC(n1c(=O)ncc2ccccc21)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.32
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCND2 P30279 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ KMO O15229 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ GSR P00390 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ SPR P35270 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRA3 P34903 1/20 0.30

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
SCHEMBL7688681 0.82 POLB (0.42) CDK4CCND1CCND2CCND3POLB
SCHEMBL23272041 0.77 HSD17B10 (0.33) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29947955 0.77 HSD17B10 (0.33) CA12BRD4BRPF1CA9KAT2B
SCHEMBL30692889 0.73 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL8229991 0.73 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL28947642 0.71 RECQL (0.38) KMO
SCHEMBL3672244 0.70 PLK1 (0.41) KMODAO
SCHEMBL28319074 0.70 CA12 (0.34) CA12BRD4BRPF1CA9KAT2B
SCHEMBL12862551 0.69 SMN1; SMN2 (0.45) CDK4CCND1CCND2CCND3POLB
SCHEMBL11868257 0.69 HDAC1 (0.37) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203062-A2 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES Bayer CropScience AG (DE) 2010-07-07 — — EP disclosed
WO-2009039951-A2 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2009-04-02 — — WO disclosed
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