SCHEMBL2643731

SCHEMBL2643731

O=[N+]([O-])c1cc(-c2ccoc2)ccc1Nc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
AKR1B1 P15121 2/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
ERN1 O75460 1/20 0.41
HCAR3 P49019 1/20 0.41
WNK1 Q9H4A3 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
AKR1B10 O60218 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH3A1 P30838 1/20 0.39

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
SCHEMBL2643886 0.86 L3MBTL1 (0.42) EGFRL3MBTL1AKR1B1AKR1C4AKR1C3
SCHEMBL2643971 0.83 AKR1C3 (0.63) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2644364 0.83 L3MBTL1 (0.40) L3MBTL1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL7820330 0.81 MAPT (0.40) L3MBTL1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL15984934 0.81 EGFR (0.55) EGFRL3MBTL1AKR1B1AKR1C4AKR1C3
SCHEMBL2643656 0.79 HDAC2 (0.41) EGFRL3MBTL1MAPTALDH1A1
SCHEMBL2649704 0.78 ABL1 (0.45) EGFRL3MBTL1AKR1B1AKR1C4AKR1C3
SCHEMBL2650269 0.78 ALK (0.46) L3MBTL1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7834274 0.78 AKR1B1 (0.36) L3MBTL1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2943448 0.78 KMT2A (0.50) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1

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