SCHEMBL7744788

SCHEMBL7744788

Cn1nc(C(C)(C)C)cc1C(=O)O.NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.67
SORT1 Q99523 5/20 0.67
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.42
MAP4K4 O95819 2/20 0.42
LMNA P02545 1/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSV O60911 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40

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
4-Chloroaniline SCHEMBL7744796 0.87 GRN (0.70) GRNSORT1KDM4ENPC1MAPT
SCHEMBL1572486 0.82 GRN (1.00) GRNSORT1KDM4ENPC1MAPT
SCHEMBL7744333 0.81 GRN (0.76) GRNSORT1NPC1MAPT
Hydrochloric Acid SCHEMBL8760885 0.80 GRN (0.96) GRNSORT1KDM4ENPC1MAPT
SCHEMBL352072 0.77 GRN (0.71) GRNSORT1KDM4EMAPTMAPK13
SCHEMBL3963913 0.74 CNR2 (0.46) GRNSORT1KDM4EMAPTMAPK13
SCHEMBL1903709 0.74 MAPT (0.68) GRNSORT1KDM4ENPC1MAPT
SCHEMBL7739174 0.72 GRN (0.76) GRNSORT1NPC1MAPT
SCHEMBL350765 0.71 GRN (0.71) GRNSORT1KDM4EMAPTMAPK13
SCHEMBL7744751 0.69 RAB9A (0.51) NPC1MAPTMAP4K4

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 claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed