SCHEMBL28110193

SCHEMBL28110193

C=CC(C#N)c1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
METAP2 P50579 1/20 0.37
BCAT2 O15382 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL18937096 0.86 PARP1 (0.33) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3804440 0.78 TRPA1 (0.33) ALDH1A1TSHR
SCHEMBL4553803 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7197042 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2582842 0.74 CYP3A4 (0.33) ALDH1A1CYP2C19CASP1SMN1; SMN2
SCHEMBL7084375 0.74 GABRA1 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9542306 0.72 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4633791 0.71 IRAK4 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10592224 0.71 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL15157533 0.71 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988150-A N- alkyl-N- cyanoalkyl benzamide compound and its application 江苏中旗科技股份有限公司 2019-07-09 CN claimed
CN-109988150-A N- alkyl-N- cyanoalkyl benzamide compound and its application 江苏中旗科技股份有限公司 2019-07-09 CN disclosed
CN-109988150-A N- alkyl-N- cyanoalkyl benzamide compound and its application 江苏中旗科技股份有限公司 2019-07-09 CN disclosed
CN-109988150-A N- alkyl-N- cyanoalkyl benzamide compound and its application 江苏中旗科技股份有限公司 2019-07-09 CN disclosed
CN-106106469-A A kind of containing N (cyanoalkyl) benzamide compound and the agricultural pesticide composition of isotianil 河北博嘉农业有限公司 2016-11-16 CN disclosed
CN-106106469-A A kind of containing N (cyanoalkyl) benzamide compound and the agricultural pesticide composition of isotianil 河北博嘉农业有限公司 2016-11-16 CN disclosed