SCHEMBL3258459

SCHEMBL3258459

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2c[nH]cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.63
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LSS P48449 1/20 0.48
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK14 Q16539 1/20 0.47
PPARA Q07869 1/20 0.47
RORC P51449 1/20 0.46
NAMPT P43490 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL3174089 0.82 SCN3A (0.64) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3163597 0.81 SCN3A (0.66) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3167975 0.80 SCN3A (0.59) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3154182 0.80 SCN3A (0.61) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3169627 0.78 SCN3A (0.59) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3168731 0.78 SCN3A (0.62) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL12010898 0.78 MAPT (0.80) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3168130 0.78 SCN3A (0.64) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3174028 0.78 SCN3A (0.63) SCN3AMAPTMEN1KMT2ALMNA
SCHEMBL3163302 0.77 SCN3A (0.71) SCN3AMAPTMEN1KMT2ALMNA

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-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed