SCHEMBL3880117

SCHEMBL3880117

CCCc1c(I)oc2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
PGAM1 P18669 1/20 0.48
MAOA P21397 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5677364 0.81 KDM4E (0.48) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL11416328 0.77 MCL1 (0.52) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL27687468 0.75 NQO1 (0.53) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18227970 0.73 KDM4E (0.47) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL28332534 0.72 HSD17B3 (0.64) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL21555485 0.72 PTPN1 (0.52) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14533465 0.71 CYP2C9 (0.55) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18407415 0.71 KDM4E (0.53) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31217589 0.71 KDM4E (0.53) CYP2C9ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18242380 0.71 MAOA (0.54) CYP2C9ALDH1A1KDM4EMAPTHSD17B10

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507317-B Composition comprising a biological control agent and a fungicide, use thereof, kit 拜尔农作物科学股份公司 2019-11-15 CN claimed
CN-104519742-B Compositions comprising biological control agents and pesticides 拜尔农作物科学股份公司 2019-10-25 CN claimed
CN-105722830-B Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-06-04 CN claimed
CN-109601554-A Including biocontrol agent and insecticide composition 拜尔农作物科学股份公司 2019-04-12 CN claimed
CN-109247339-A Purposes of the composition comprising biocontrol agent and fungicide as fungicide 拜耳作物科学股份公司 2019-01-22 CN claimed
CN-109169661-A Composition including biocontrol agent and insecticide 拜耳作物科学股份公司 2019-01-11 CN claimed
CN-104507318-B The composition of fungicide including biocontrol agent and from electron transport chain complex III inhibitor 拜尔农作物科学股份公司 2018-12-25 CN claimed
CN-108669088-A Include the composition of biocontrol agent and the fungicide selected from Cell wall synthesis inhibitor 拜耳作物科学股份公司 2018-10-19 CN claimed
CN-108658816-A Trifluoroethyl sulfide derivatives as the substitution of the N- aryl amidines of acaricide and insecticide 拜尔农作物科学股份公司 2018-10-16 CN claimed
CN-104837350-B Use of a composition comprising a biological control agent and a fungicide as a fungicide 拜尔农作物科学股份公司 2018-08-03 CN claimed
CN-104507319-B Composition comprising a biological control agent and a fungicide selected from an inhibitor of lipid membrane synthesis, an inhibitor of melanin biosynthesis, an inhibitor of nucleic acid synthesis or an inhibitor of signal transduction 拜尔农作物科学股份公司 2018-08-03 CN claimed
CN-110475776-A For preventing and treating the tricyclic carboxylic acid amides of arthropod BAYER CROPSCIENCE AG 2019-11-19 CN disclosed
CN-110452220-A 9 oxime derivate and its application in agricultural DONGGUAN DONGYANGGUANG PESTICIDE RES AND DEVELOPMENT CO LTD 2019-11-15 CN disclosed
CN-107011326-B Fungicidal pyrazoles compound FMC公司 2019-11-12 CN disclosed
CN-108947964-B Fungicide hydroximoyl-tetrazole derivatives 东莞东阳光科研发有限公司 2019-10-18 CN disclosed
CN-108041042-A A kind of composition pesticide containing cyflumetofen and fluazinam 广东中迅农科股份有限公司 2018-05-18 CN disclosed
EP-2854529-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE Bayer Cropscience AG (DE) 2015-04-08 EP disclosed
WO-2013178664-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2013-12-05 WO disclosed
EP-2010514-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed