SCHEMBL28624296

SCHEMBL28624296

Cc1cc(OC(N)=O)ccc1C=Cc1ncn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ENPP2 Q13822 1/20 0.34
MCHR1 Q99705 4/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
MCHR2 Q969V1 1/20 0.33
MAPK7 Q13164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 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
SCHEMBL28624292 1.00 PDE10A (0.36) PDE10AKDM4EGAAMAPTMAPK1
SCHEMBL28625064 0.87 CNR1 (0.35) PDE10AMAPK1ENPP2MCHR1PPARG
SCHEMBL18579345 0.85 MAPT (0.40) PDE10AKDM4EGAAMAPTMAPK1
SCHEMBL18579343 0.85 MAPT (0.40) PDE10AKDM4EGAAMAPTMAPK1
SCHEMBL28629677 0.84 CYP2D6 (0.36) KDM4ECCNA2CDK2CCNA1
SCHEMBL18579583 0.84 MCHR1 (0.41) MCHR1MCHR2
SCHEMBL18579581 0.84 MCHR1 (0.41) MCHR1MCHR2
SCHEMBL28625068 0.80 IDH1 (0.44) MCHR1MCHR2
SCHEMBL18591545 0.80 IDH1 (0.44) MCHR1MCHR2
SCHEMBL28624282 0.78 HDAC1 (0.34) CCNA2CDK2CCNA1MCHR1

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
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed