SCHEMBL4004584

SCHEMBL4004584

FC(F)(F)c1cccc(-c2c[c]ccn2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
CNR2 P34972 1/20 0.41
KMO O15229 2/20 0.35
SCN9A Q15858 1/20 0.35
MPL P40238 1/20 0.33
P2RX7 Q99572 1/20 0.33
GRM5 P41594 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGFBR1 P36897 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL14342877 0.85 KMO (0.47) HSD11B1CNR2KMOSCN9ACYP1A2
SCHEMBL4003469 0.80 TAAR1 (0.35) KMOSCN9AP2RX7TDP1ALDH1A1
SCHEMBL16872757 0.79 HSD11B1 (0.49) HSD11B1CNR2KMOSCN9AMPL
SCHEMBL3539249 0.74 HSD11B1 (0.41) HSD11B1CNR2SCN9ACES1
SCHEMBL3995888 0.74 JAK2 (0.39) KMOSCN9AMPLCYP1A2CYP3A4
SCHEMBL3999983 0.74 ALOX5AP (0.40) SCN9A
SCHEMBL3988160 0.73 HSD11B1 (0.43) HSD11B1CNR2KMOSCN9AMPL
SCHEMBL6067687 0.73 HSD11B1 (0.55) HSD11B1CNR2SCN9AMPLP2RX7
SCHEMBL2750708 0.72 CNR2 (0.47) HSD11B1CNR2SCN9AMPLP2RX7
SCHEMBL3534868 0.71 HSD11B1 (0.44) HSD11B1CNR2SCN9AMPLCES1

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