SCHEMBL3995451

SCHEMBL3995451

FC(F)(F)c1ccc(Oc2ccc[c]n2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.36
F10 P00742 1/20 0.36
AR P10275 12/20 0.35
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
NR2F2 P24468 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HTT P42858 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL3996017 0.79 CES2 (0.34) KDM4ELMNAKMT2AALOX5APFEN1
SCHEMBL6155275 0.79 MAPT (0.50) KDM4ELMNAALDH1A1GAA
SCHEMBL3991015 0.78 MAPT (0.37) ALDH1A1GAA
SCHEMBL3989103 0.76 NFE2L2 (0.32)
SCHEMBL2752491 0.76 MAP4K4 (0.43) SCN9ALMNAKMT2A
SCHEMBL2751118 0.76 DRD1 (0.34) DRD1F10ARSCN9AKDM4E
SCHEMBL9686329 0.74 MEN1 (0.44) SCN9AKDM4ELMNAMEN1ALDH1A1
SCHEMBL8134141 0.74
SCHEMBL3995208 0.74 RXRA (0.36) KDM4ELMNAKMT2A
SCHEMBL9685443 0.73 MAP4K4 (0.45) F10KDM4EALDH1A1KMT2A

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-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed