SCHEMBL13629586

SCHEMBL13629586

COc1ccc2ccn(CCC(=O)Nc3ccc(S(=O)(=O)Nc4ncns4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
MCL1 Q07820 2/20 0.44
USP2 O75604 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13637890 0.87 LMNA (0.41) SCN9AMAPK1PKMMEN1KMT2A
SCHEMBL1102133 0.87 KMO (0.45) SCN9A
SCHEMBL1102063 0.87 PKM (0.62) PKMMEN1KMT2AMAPTPOLB
SCHEMBL13403975 0.86 MEN1 (0.44) SCN9APKMMEN1KMT2AMAPT
SCHEMBL1102019 0.85 SCN9A (0.46) SCN9A
SCHEMBL1102059 0.85 LMNA (0.41) SCN9APKMSMN1; SMN2LMNA
SCHEMBL1102109 0.84 SCN9A (0.45) SCN9A
SCHEMBL10200628 0.84 MAPT (0.42) SCN9AHPGDMEN1KMT2AMAPT
SCHEMBL9972239 0.79 PKM (0.65) PKMMEN1KMT2AMAPTPOLB
SCHEMBL1102120 0.77 SCN9A (0.47) SCN9AHPGDPKMMEN1KMT2A

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