SCHEMBL27980296

SCHEMBL27980296

CCc1cnc(Cl)c(C(N)=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SIRT6 Q8N6T7 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL28899823 0.86 POLB (0.39) POLBSIRT6NOS3NOS1NOS2
SCHEMBL27904171 0.79 POLB (0.50) POLBSIRT6TSHRNNMTHSD17B10
SCHEMBL23235003 0.79 POLB (0.40) POLBSIRT6LMNATSHRNNMT
SCHEMBL22944280 0.76 NOS3 (0.38) NOS3NOS1NOS2PDXKALDH1A1
Acetic Acid SCHEMBL29000598 0.76 GABRP (0.36) NOS3NOS1NOS2GABRPGABRD
SCHEMBL22836873 0.76 POLB (0.38) POLBSIRT6LMNANNMTKDM4E
SCHEMBL2086557 0.76 GABRP (0.40) NOS3NOS1NOS2GABRPGABRD
SCHEMBL845186 0.76 POLB (0.38) POLBSIRT6LMNATSHRNNMT
SCHEMBL24982634 0.75 NOS3 (0.42) POLBNOS3NOS1NOS2GABRP
SCHEMBL8918233 0.73 JAK3 (0.31) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104381270-B PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE 拜尔农科股份公司 2017-04-12 CN claimed
CN-104754943-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN claimed
CN-104754940-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN claimed
CN-109561676-A The pyrrolidones that N- replaces is used to promote the purposes of the infiltration of agrochemical active ingredient 科莱恩国际有限公司 2019-04-02 CN disclosed
CN-107540615-A fungicide pyrazole carboxamides derivatives 拜尔农科股份公司 2018-01-05 CN disclosed
CN-102421757-B Fungicide pyrazole carboxamide derivatives 拜尔农科股份公司 2017-10-24 CN disclosed
CN-105357967-A Method for promoting plant growth using carboxamide derivatives BAYER CROPSCIENCE AG 2016-02-24 CN disclosed
CN-104754943-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN disclosed
CN-104754940-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN disclosed
CN-104202983-A Active compound combinations BAYER IP GMBH 2014-12-10 CN disclosed
CN-101237777-B Active substance combinations BAYER CROPSCIENCE AG 2014-11-19 CN disclosed