SCHEMBL6676513

SCHEMBL6676513

Cc1c(C(N)=O)ccc(OC(F)(F)F)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.41
BRD4 O60885 1/20 0.38
BCAT2 O15382 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
AR P10275 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37

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
SCHEMBL529975 0.82 FABP3 (0.49) BRD4BCAT2
SCHEMBL28012495 0.81 SCN9A (0.39) SCN9ACYP2C9SCN10AKCNK3KCNK9
SCHEMBL173606 0.80 SCN9A (0.38) SCN9ABCAT2CYP2C9CYP3A4CYP2D6
SCHEMBL14892704 0.80 CTNNB1 (0.48) SCN9ABRD4SCN10A
SCHEMBL20552421 0.78 BCAT2 (0.50) BRD4BCAT2CYP3A4
SCHEMBL6173691 0.78 FABP4 (0.45) SCN9ABRD4BCAT2
SCHEMBL529871 0.77 BCAT2 (0.48) BRD4BCAT2CYP3A4
SCHEMBL28784266 0.76 BCAT2 (0.44) BRD4BCAT2
SCHEMBL28192692 0.76 KCNK3 (0.45) SCN9ACYP2C9CYP3A4CYP2D6KCNK3
SCHEMBL6389902 0.76 BCAT2 (0.47) BRD4BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427705-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-16 EP disclosed
WO-2003026415-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-03 WO disclosed