SCHEMBL28215313

SCHEMBL28215313

COc1ccc(CN)cc1CC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LDHA P00338 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CA2 P00918 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL28215321 0.83 CSNK2A1 (0.55) PKMPOLBALDH1A1LMNAMEN1
SCHEMBL2278377 0.81 TAAR1 (0.52) PKMALOX15KDM4EATMGAA
SCHEMBL7887703 0.80 MAPK8 (0.56) HSD17B10KDM4EGAAALDH1A1LMNA
SCHEMBL28142858 0.80 HSD17B10 (0.50) HSD17B10PKMALOX15KDM4EGAA
SCHEMBL3659915 0.80 HSD17B10 (0.50) HSD17B10POLBGAAALDH1A1MEN1
SCHEMBL1032357 0.80 HSD17B10 (0.73) HSD17B10LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL6768219 0.80 TAAR1 (0.50) PKMALOX15KDM4EATMGAA
SCHEMBL4723016 0.79 KDM4E (0.52) HSD17B10ALOX15KDM4EPOLBGAA
SCHEMBL3869208 0.79 MEN1 (0.50) HSD17B10PKMKDM4EGAAALDH1A1
SCHEMBL1033641 0.78 LMNA (0.61) KDM4EATMGAAALDH1A1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290832-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-07-17 CN disclosed
CN-108137489-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2018-06-08 CN disclosed
CN-108025189-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-05-11 CN disclosed