SCHEMBL21731372

SCHEMBL21731372

FC(F)CNc1cccc(Cc2ccc(Cl)nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL21731373 0.83 GAA (0.43) GAAKDM4EMAPTL3MBTL1KCNH2
SCHEMBL21731428 0.81 KDM4E (0.43) GAAKDM4EMAPTL3MBTL1KMT2A
SCHEMBL21723209 0.78 KDM4E (0.39) GAAKDM4EMAPTL3MBTL1CYP3A4
SCHEMBL21682616 0.76 MAPT (0.47) GAAKDM4EMAPTL3MBTL1KMT2A
SCHEMBL7971464 0.76 GAA (0.45) GAAKDM4EMAPTL3MBTL1KMT2A
SCHEMBL21731377 0.75 CYP11B1 (0.41) GAAKDM4EMAPTL3MBTL1ITGB1
SCHEMBL21731369 0.75 KMT2A (0.43) GAAKMT2AALDH1A1DYRK1A
SCHEMBL21723173 0.75 GAA (0.41) GAAKDM4EMAPTL3MBTL1KMT2A
SCHEMBL21731414 0.74 KDM4E (0.41) GAAKDM4EMAPTL3MBTL1CYP3A4
SCHEMBL21731410 0.72 GAA (0.41) GAAKDM4EMAPTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 WO disclosed