SCHEMBL711053

SCHEMBL711053

COC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.53
PPIA P62937 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51

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
SCHEMBL712071 0.84 MEN1 (0.58) PKMMEN1KMT2AALDH1A1PPIA
SCHEMBL712361 0.80 ALDH1A1 (0.59) PKMMEN1KMT2AALDH1A1PPIA
SCHEMBL3129504 0.78 MEN1 (0.64) PKMMEN1KMT2AALDH1A1PPIA
SCHEMBL711626 0.76 ALDH1A1 (0.60) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL713307 0.75 DHODH (0.52) NPC1HPGDRAB9AMEN1KMT2A
SCHEMBL15508074 0.74 PKM (1.00) PKMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27716238 0.74 DHODH (0.79) PKMNPC1HPGDRAB9AMEN1
SCHEMBL8343595 0.74 NPC1 (0.75) NPC1HPGDRAB9AMEN1KMT2A
SCHEMBL9230514 0.73 PKM (0.90) PKMHPGDMEN1KMT2AALDH1A1
SCHEMBL713887 0.73 ILK (0.65) PKMNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed