SCHEMBL7744714

SCHEMBL7744714

CCn1nc(-c2cccs2)cc1C(=O)O.NC(=O)c1nc(-c2cccnc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
FYN P06241 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38

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 0.90 HSD17B10 (0.45) KDM4EHSD17B10MAPK1FYNL3MBTL1
SCHEMBL1899260 0.81 ALDH1A1 (0.54) KDM4EHSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL3064335 0.80 L3MBTL1 (0.56) KDM4EHSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL1848071 0.75 CYP19A1 (0.59) KDM4EMAPK1ALDH1A1PKMMEN1
SCHEMBL30620657 0.75 CYP19A1 (0.59) KDM4EMAPK1ALDH1A1PKMMEN1
SCHEMBL595201 0.71 ALDH1A1 (0.57) KDM4EHSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL3074455 0.70 NPC1 (0.59) KDM4EHSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL10022668 0.69 CYP19A1 (0.62) KDM4EMAPK1ALDH1A1PKMMEN1
SCHEMBL27768542 0.68 CYP19A1 (0.63) KDM4EMAPK1ALDH1A1PKMNPC1
SCHEMBL17593153 0.67 SMN1; SMN2 (0.56) L3MBTL1ALDH1A1POLBRAB9ASMN1; SMN2

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
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