SCHEMBL2645152

SCHEMBL2645152

Nc1cc(I)ccc1Nc1cccc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
CNR1 P21554 1/20 0.43
SCN9A Q15858 1/20 0.37
SYK P43405 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
GFER P55789 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL2647429 0.81 RET (0.42) RETCNR1SCN9ASYKGAA
SCHEMBL2648414 0.80 CNR1 (0.49) RETCNR1SYKALDH1A1GAA
SCHEMBL2644088 0.80 MEN1 (0.46) RETCNR1ALDH1A1MAPTMEN1
SCHEMBL15606453 0.79 CNR1 (0.56) RETCNR1SYKALDH1A1MAPT
SCHEMBL30103987 0.79 CNR1 (0.56) RETCNR1SYKALDH1A1MAPT
SCHEMBL2643153 0.76 CNR1 (0.40) CNR1SYKALDH1A1GAAMAPT
SCHEMBL6797326 0.76 CNR1 (0.46) RETCNR1SYKHPGDPIK3CD
SCHEMBL27354841 0.76 RECQL (0.53) SYKALDH1A1GAAMAPTKDM4E
SCHEMBL10064753 0.76 CNR1 (0.54) RETCNR1ALDH1A1GAAMAPT
SCHEMBL29871321 0.76 CNR1 (0.54) RETCNR1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
CN-1072669-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEURORES AS (DK) 2001-10-10 CN 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
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
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