SCHEMBL3999983

SCHEMBL3999983

FC(F)(F)c1ccc(-c2c[c]ccn2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
TRPV3 Q8NET8 3/20 0.38
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
CES2 O00748 1/20 0.36
AR P10275 1/20 0.36
CBFB Q13951 1/20 0.35
KCNH2 Q12809 3/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GPR3 P46089 1/20 0.34
TOP1 P11387 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
POLQ O75417 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL3995888 0.88 JAK2 (0.39) ALOX5APFEN1CES2ARCBFB
SCHEMBL16457762 0.84 NPC1 (0.41) CBFBCYP2C9SCN9A
SCHEMBL14342877 0.81 KMO (0.47) SCN9A
SCHEMBL1206412 0.80 CBFB (0.50) ALOX5APFEN1TRPV3CBFBPOLQ
SCHEMBL19072713 0.79 NOS3 (0.47) ALOX5APFEN1TRPV3ABCC8KCNJ11
SCHEMBL2184027 0.76 KIF11 (0.47) TOP1GSK3B
SCHEMBL3541438 0.75 EDNRB (0.40) ALOX5APFEN1TRPV3ABCC8KCNJ11
SCHEMBL19072710 0.75 FEN1 (0.45) ALOX5APFEN1TRPV3ABCC8KCNJ11
SCHEMBL3993194 0.74 TRPV3 (0.41) ALOX5APFEN1TRPV3ABCC8KCNJ11
SCHEMBL4004584 0.74 HSD11B1 (0.42) 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-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed