SCHEMBL694114

SCHEMBL694114

[CH2]CCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.50
TRPV4 Q9HBA0 1/20 0.48
TKT P29401 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
NAMPT P43490 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
SCHEMBL129948 0.84 TRPV4 (0.52) DAOTRPV4TKTKDM1AMAOA
SCHEMBL264730 0.81 TAAR1 (0.52) DAOTRPV4TKTKDM1AMAOA
SCHEMBL991369 0.81 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL19615786 0.81 TRPV4 (0.53) DAOTRPV4TKTKDM1AMAOA
SCHEMBL3851699 0.81 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL1259004 0.81 TKT (0.55) DAOTRPV4TKTKDM1AMAOA
SCHEMBL15284787 0.79 TRPV4 (0.47) DAOTRPV4TKTKDM1AMAOA
SCHEMBL12224352 0.78 NFKB1 (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL14028936 0.78 TKT (0.49) DAOTRPV4TKTKDM1AMAOA
SCHEMBL31067892 0.78 TKT (0.49) DAOTRPV4TKTKDM1AMAOA

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-104222135-B Stable insecticide compositions 美国陶氏益农公司 2017-04-26 CN disclosed
CN-104222135-A Stable insecticide compositions DOW AGROSCIENCES LLC 2014-12-24 CN disclosed
EP-2421371-A1 USE OF PROPINEB AS BIRD REPELLENT Bayer CropScience AG (DE) 2012-02-29 EP disclosed