SCHEMBL2643906

SCHEMBL2643906

O=[N+]([O-])c1cc(-c2ccco2)ccc1Nc1cccc(-n2cccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
ERN1 O75460 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HCAR3 P49019 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALK Q9UM73 1/20 0.37
AKR1B1 P15121 2/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1B10 O60218 1/20 0.37
HPGD P15428 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
SCHEMBL7820033 0.88 ABL1 (0.44) TP53ERN1L3MBTL1POLBMAPT
SCHEMBL2644364 0.84 L3MBTL1 (0.40) ERN1L3MBTL1POLBMAPTHCAR3
SCHEMBL2643462 0.79 MEN1 (0.54) L3MBTL1POLBMAPTHCAR3TDP1
SCHEMBL7831824 0.77 TP53 (0.41) TP53ERN1L3MBTL1POLBMAPT
SCHEMBL2649704 0.75 ABL1 (0.45) TP53ERN1L3MBTL1POLBMAPT
SCHEMBL2654281 0.74 L3MBTL1 (0.42) L3MBTL1POLBMAPTHCAR3TDP1
SCHEMBL7828783 0.74 TP53 (0.41) TP53ERN1POLBMAPTRXFP1
SCHEMBL2654269 0.74 EGFR (0.46) L3MBTL1POLBMAPTHCAR3TDP1
SCHEMBL2658767 0.72 L3MBTL1 (0.39) L3MBTL1POLBMAPTHCAR3TDP1
SCHEMBL2647397 0.71 L3MBTL1 (0.40) L3MBTL1POLBMAPTHCAR3TDP1

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 5 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
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 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
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