SCHEMBL28628308

SCHEMBL28628308

NC(=O)Oc1ccc(C=Cc2ncn(-c3ccc(OC(F)(F)F)cn3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
KIF11 P52732 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM4 P08173 1/20 0.32
STAT3 P40763 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LCAT P04180 1/20 0.30
PDE2A O00408 1/20 0.30
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
IP6K2 Q9UHH9 1/20 0.30
HDAC1 Q13547 2/20 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
SCHEMBL28628307 1.00 LMNA (0.38) LMNAMAPTKIF11GRIK1GRIK2
SCHEMBL28629671 0.90 LMNA (0.36) LMNAMAPTGRIK1GRIK2CHRM4
SCHEMBL28629669 0.90 LMNA (0.36) LMNAMAPTGRIK1GRIK2CHRM4
SCHEMBL28629677 0.86 CYP2D6 (0.36) KIF11GRIK1GRIK2CYP2D6CA12
SCHEMBL18579427 0.86 LMNA (0.34) LMNAPDE10A
SCHEMBL18579429 0.86 LMNA (0.34) LMNAPDE10A
SCHEMBL28625054 0.85 LMNA (0.37) LMNAMAPTCYP2D6CHRM4PDE10A
SCHEMBL18579478 0.84 LMNA (0.47) LMNAMAPTCA12CA1CA2
SCHEMBL18579481 0.84 LMNA (0.47) LMNAMAPTCA12CA1CA2
SCHEMBL18579195 0.81 LMNA (0.39) LMNAMAPTCHRM4PDE2AIP6K1

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
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed