SCHEMBL9616229

SCHEMBL9616229

O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.79
KDM4E B2RXH2 1/20 0.79
MEN1 O00255 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2C19 P33261 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
P2RY1 P47900 8/20 0.60
S1PR3 Q99500 1/20 0.49
MET P08581 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10970533 0.90 KMT2A (0.81) KMT2AKDM4EMEN1CYP1A2CYP2C19
Diflufenican SCHEMBL8536896 0.88 KMT2A (1.00) KMT2AKDM4EMEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29373740 0.88 KMT2A (1.00) KMT2AKDM4EMEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29549369 0.88 KMT2A (1.00) KMT2AKDM4EMEN1CYP1A2CYP2C19
Diflufenican SCHEMBL22023 0.88 KMT2A (1.00) KMT2AKDM4EMEN1CYP1A2CYP2C19
SCHEMBL10971996 0.88 KMT2A (0.75) KMT2AKDM4EMEN1CYP1A2CYP2C19
SCHEMBL3150022 0.87 P2RY1 (0.78) KMT2AKDM4EMEN1CYP1A2CYP2C19
SCHEMBL10975334 0.86 KMT2A (0.75) KMT2AKDM4EMEN1CYP1A2CYP2C19
SCHEMBL10971571 0.86 KMT2A (0.75) KMT2AKDM4EMEN1CYP1A2CYP2C19
Diflufenican SCHEMBL28864547 0.85 KMT2A (0.93) KMT2AKDM4EMEN1CYP1A2CYP2C19

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
US-5098464-A Preemergence or postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed