SCHEMBL13637929

SCHEMBL13637929

O=C(CN1CCc2cc(F)ccc21)Nc1ccc([S+]([O-])Nc2ncns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.41
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
NPY5R Q15761 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 5/20 0.37
AR P10275 1/20 0.36
ATM Q13315 1/20 0.35
EPHX2 P34913 4/20 0.35
KCNT1 Q5JUK3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13629587 0.84 SCN3A (0.57) SCN3AMAPK1KMT2AALDH1A1MEN1
SCHEMBL13637814 0.83 MEN1 (0.55) MAPK1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL1102069 0.76 SCN3A (0.55) SCN3AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9972209 0.72 SCN3A (0.57) SCN3AKMT2AALDH1A1MEN1MAPT
SCHEMBL9972260 0.67 MEN1 (0.54) SCN3AKMT2AALDH1A1MEN1MAPT
SCHEMBL1102024 0.66 MEN1 (0.64) MAPK1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL1102139 0.64 LMNA (0.57) SCN3AKMT2AALDH1A1MEN1MAPT
SCHEMBL5118232 0.64 NOTUM (0.54) MAPK1L3MBTL1ALDH1A1MAPTNPY5R
SCHEMBL10201439 0.63 CYP1A2 (0.48) ALDH1A1RAB9AALOX5ARATM
SCHEMBL1102115 0.63 CHRM2 (0.52) SCN3AMAPK1L3MBTL1KMT2AALDH1A1

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