SCHEMBL4003469

SCHEMBL4003469

FC(F)(F)c1cccc(C(F)(F)F)c1-c1c[c]ccn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.35
SCN9A Q15858 8/20 0.34
SCN5A Q14524 7/20 0.34
PDK2 Q15119 1/20 0.33
KMO O15229 1/20 0.32
PARP1 P09874 1/20 0.32
AXL P30530 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFE2L2 Q16236 1/20 0.31
P2RX7 Q99572 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL14342877 0.81 KMO (0.47) SCN9AKMOALDH1A1TDP1
SCHEMBL4004584 0.80 HSD11B1 (0.42) TAAR1SCN9AKMOALDH1A1TDP1
SCHEMBL2752979 0.76 GABRA1 (0.33) TDP1
SCHEMBL3996445 0.75 NOTUM (0.46) SCN9APDK2KMO
SCHEMBL3995888 0.72 JAK2 (0.39) SCN9ASCN5AKMOPARP1TDP1
SCHEMBL3999983 0.72 ALOX5AP (0.40) SCN9A
SCHEMBL2752817 0.72 NOS3 (0.38) PDK2ALDH1A1TDP1
SCHEMBL2752501 0.72 KDM4E (0.30) TDP1
SCHEMBL2753808 0.72 NR4A2 (0.35) TAAR1PARP1TDP1
SCHEMBL2184027 0.71 KIF11 (0.47)

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