SCHEMBL7645488

SCHEMBL7645488

O=C(Nc1ccc(F)cc1F)c1ncccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
MEN1 O00255 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 1/20 0.74
P2RY1 P47900 11/20 0.69
EGFR P00533 1/20 0.51
MET P08581 2/20 0.48
BRAF P15056 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR3 Q99500 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
SCHEMBL8338308 0.88 KDM4E (0.77) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29549369 0.85 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL8536896 0.85 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29373740 0.85 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL22023 0.85 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL9360287 0.83 NPSR1 (0.70) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7132200 0.83 P2RY1 (0.62) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7607256 0.82 NPSR1 (0.69) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL9364635 0.82 KDM4E (0.68) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7611663 0.82 NPSR1 (0.68) KDM4ENPSR1MEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207154-A1 Herbicidal carboxamide derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
EP-0447004-B1 Herbicidal carboxamide derivatives SHELL INT RESEARCH (NL) 1998-01-28 EP disclosed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed
EP-0447004-A2 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-18 EP disclosed