SCHEMBL9364635

SCHEMBL9364635

O=C(Nc1ccc(F)cc1F)c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
P2RY1 P47900 1/20 0.58
RXFP1 Q9HBX9 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SCN8A Q9UQD0 4/20 0.53
SCN10A Q9Y5Y9 4/20 0.53
EGFR P00533 1/20 0.51
LRRK2 Q5S007 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
SCHEMBL9360287 0.97 NPSR1 (0.70) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL9359993 0.91 KDM4E (0.63) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7611663 0.85 NPSR1 (0.68) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL3159880 0.82 P2RY1 (0.72) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL7645488 0.82 KDM4E (0.74) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29373740 0.81 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL29549369 0.81 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL8536896 0.81 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
Diflufenican SCHEMBL22023 0.81 KMT2A (1.00) KDM4ENPSR1MEN1CYP1A2CYP2C19
SCHEMBL9364603 0.80 TAS1R3 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467473-B1 Herbicidal compounds SHELL INT RESEARCH (NL) 1994-10-05 EP disclosed
US-5304532-A For preemergence or postemergence use SHELL RESEARCH LIMITED 1994-04-19 US disclosed
EP-0467473-A1 Herbicidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-22 EP disclosed