SCHEMBL3411935

SCHEMBL3411935

CS(=O)(=O)NC(=O)C1=NC(c2cnn(-c3cncc(F)c3)c2)CS1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.37
SCN2B O60939 4/20 0.36
SCN1B Q07699 4/20 0.36
SCN9A Q15858 4/20 0.36
SCN5A Q14524 3/20 0.32
SCN1A P35498 2/20 0.31
SLC6A9 P48067 2/20 0.31
KAT6A Q92794 1/20 0.31
CHRM4 P08173 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2626898 0.76 SCN9A (0.43) RIPK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL253139 0.69 RIPK2 (0.38) RIPK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL10233334 0.69 PIM1 (0.42) RIPK2SCN2BSCN1BSCN9A
SCHEMBL253887 0.67 IRAK4 (0.40) RIPK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL2632994 0.66 SCN9A (0.59) RIPK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL2626901 0.66 SCN2B (0.42) RIPK2SCN2BSCN1BSCN9AKAT6A
SCHEMBL10074415 0.65 SCN9A (0.41) RIPK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL2731473 0.62 CYP11B2 (0.38) RIPK2KDM1AMAOAMAOB
SCHEMBL2626897 0.61 PTGS2 (0.56) KAT6A
SCHEMBL2689196 0.60 ELOVL1 (0.41) KDM1AMAOAMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 WO disclosed