SCHEMBL1899260

SCHEMBL1899260

CCn1nc(-c2cccs2)cc1C(=O)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
PKM P14618 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7744716 0.83 HSD17B10 (0.45) ALDH1A1PKMPOLBMAPTKDM4E
SCHEMBL1898414 0.75 MAPT (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL1900139 0.74 POLB (0.53) ALDH1A1POLBMAPTKDM4ESMN1; SMN2
SCHEMBL1896105 0.73 MAPT (0.56) ALDH1A1PKMMAPTKDM4ESMN1; SMN2
SCHEMBL3064335 0.73 L3MBTL1 (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL25287793 0.72 LMNA (0.90) ALDH1A1PKMMAPTKDM4ESMN1; SMN2
SCHEMBL10697632 0.71 ALDH1A1 (0.76) ALDH1A1PKMPOLBMAPTKDM4E
SCHEMBL18997302 0.70 ALDH1A1 (0.72) ALDH1A1PKMMAPTKDM4ESMN1; SMN2
SCHEMBL1898402 0.69 SMN1; SMN2 (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1899880 0.69 NPC1 (0.55) ALDH1A1PKMPOLBMAPTKDM4E

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed