SCHEMBL7606969

SCHEMBL7606969

O=C(Nc1ccc(F)cc1F)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
GAA P10253 3/20 0.64
RAB9A P51151 3/20 0.63
LIPE Q05469 7/20 0.63
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
EGFR P00533 1/20 0.60
P2RY1 P47900 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 2/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7617870 0.86 KDM4E (0.69) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7614793 0.83 KDM4E (0.65) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7612484 0.82 NPSR1 (0.66) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7606200 0.82 NPSR1 (0.63) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL8721193 0.81 NPSR1 (0.60) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL22023 0.80 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29373740 0.80 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29549369 0.80 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL8536896 0.80 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7607256 0.80 NPSR1 (0.69) 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