SCHEMBL6024314

SCHEMBL6024314

CSc1nccc(C(C=O)c2cccc(Br)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSA P10619 1/20 0.31
IDH1 O75874 2/20 0.31
HTT P42858 2/20 0.31
ABL1 P00519 2/20 0.31
SRC P12931 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL6025036 0.85 GAA (0.38) MAPK9MAPK10THRBRAB9AMEN1
SCHEMBL6443205 0.85 MAPK9 (0.34) MAPK9MAPK10MAPTRAB9AMEN1
SCHEMBL6024760 0.85 MAPK9 (0.34) MAPK9MAPK10RAB9AMEN1NPC1
SCHEMBL7253009 0.84 MEN1 (0.41) MAPK9MAPK10MAPTRAB9AMEN1
SCHEMBL5753432 0.82 PNMT (0.36) IDH1GAAL3MBTL1ALDH1A1LMNA
SCHEMBL6441296 0.78 ALDH1A1 (0.40) MAPK9MAPK10RAB9AMEN1NPC1
SCHEMBL5745770 0.78 SMN1; SMN2 (0.45) MEN1KMT2AHTTLMNA
SCHEMBL5764702 0.78 MAPK9 (0.38) MAPK9MAPK10RAB9AMEN1NPC1
SCHEMBL27548648 0.77 PARP1 (0.35) MAPTTHRBRXFP1RAB9ACTSA
SCHEMBL6443718 0.76 GAA (0.39) MAPK9MAPK10RAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678163-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
WO-2005040154-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed