SCHEMBL2644882

SCHEMBL2644882

N#Cc1ccc(Nc2cccc(I)c2)c(N)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.70
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 4/20 0.70
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
IDO1 P14902 2/20 0.39
MAP2K1 Q02750 2/20 0.38
CXCR2 P25025 2/20 0.37
EGFR P00533 2/20 0.37
GFER P55789 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29642859 0.83 GAA (1.00) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL13610402 0.83 GAA (1.00) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL1761791 0.82 KDM4E (0.70) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL2649258 0.77 LRRK2 (0.51) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL2650773 0.77 KDM4E (0.62) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL7298939 0.76 MAPT (0.62) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL890934 0.75 GAA (0.64) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL12818383 0.74 MERTK (0.50) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL12407368 0.74 KDM4E (0.71) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL2641972 0.73 MAPT (0.70) GAAALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089762-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEUROSEARCH AS (DK) 2002-08-28 CN disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
CN-1072669-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEURORES AS (DK) 2001-10-10 CN disclosed
EP-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
CN-1182425-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH AS (DK) 1998-05-20 CN disclosed
CN-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 CN disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed