SCHEMBL6672028

SCHEMBL6672028

CCCN(C)S(=O)(=O)NC(=O)c1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
P2RX7 Q99572 3/20 0.32
SCN5A Q14524 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR1 P34998 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30

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
SCHEMBL6672249 0.89 SCN9A (0.41) SCN9ASCN5A
SCHEMBL9359135 0.77 GRIK1 (0.50) KDM4EITGB1ITGA4ITGB7KMT2A
SCHEMBL6670192 0.77 SCN9A (0.33) SCN9AKDM4E
SCHEMBL2413504 0.75 SCN9A (0.37) SCN9A
SCHEMBL6049391 0.72 SCN9A (0.34) SCN9AP2RX7KDM4ECRHR1NPC1
SCHEMBL6049387 0.68 SCN9A (0.33) SCN9AP2RX7KMT2ACRHR1NPC1
SCHEMBL6049451 0.68 P2RX7 (0.35) SCN9AP2RX7KDM4ECRHR1ALDH1A1
SCHEMBL16793130 0.67 POLB (0.37) SCN9A
SCHEMBL6674922 0.67 HPGD (0.50) KMT2AALDH1A1
SCHEMBL6049420 0.67 SCN9A (0.33) SCN9A

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-1458237-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP disclosed
WO-2003051122-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO disclosed