SCHEMBL28629671

SCHEMBL28629671

NC(=O)Oc1ccc(C=Cc2ncn(-c3ccc(OC(F)(F)F)cn3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.33
SCN10A Q9Y5Y9 3/20 0.33
SCN9A Q15858 2/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM4 P08173 1/20 0.32
HDAC1 Q13547 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
NAMPT P43490 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
SCHEMBL28629669 1.00 LMNA (0.36) LMNAMAPTSCN10ASCN9ASCN7A
SCHEMBL28628308 0.90 LMNA (0.38) LMNAMAPTSCN10ACHRM4HDAC1
SCHEMBL28628307 0.90 LMNA (0.38) LMNAMAPTSCN10ACHRM4HDAC1
SCHEMBL28624282 0.89 HDAC1 (0.34) SCN10ASCN9AHDAC1GRIK1GRIK2
SCHEMBL28624281 0.89 HDAC1 (0.34) SCN10ASCN9AHDAC1GRIK1GRIK2
SCHEMBL28619746 0.87 LMNA (0.35) LMNAMAPTSCN10ASCN9ASCN7A
SCHEMBL18579195 0.81 LMNA (0.39) LMNAMAPTSCN9ACHRM4HDAC1
SCHEMBL18579199 0.81 LMNA (0.39) LMNAMAPTSCN9ACHRM4HDAC1
SCHEMBL18579429 0.81 LMNA (0.34) LMNA
SCHEMBL18579427 0.81 LMNA (0.34) LMNA

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