SCHEMBL13637814

SCHEMBL13637814

O=C(CN1CCCc2ccccc21)Nc1ccc([S+]([O-])Nc2ncns2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 9/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 3/20 0.53
MAPK1 P28482 4/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 1/20 0.41

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
SCHEMBL1102024 0.83 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL13637929 0.83 SCN3A (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1102137 0.75 CHRM2 (0.60) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1102054 0.73 CHRM2 (0.66) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1102067 0.71 CHRM2 (0.60) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1091209 0.71 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1102115 0.69 CHRM2 (0.52) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9250671 0.68 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1102082 0.68 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9974109 0.67 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTGAA

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
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed