SCHEMBL2643971

SCHEMBL2643971

O=C(O)c1cccc(Nc2ccc(-c3ccoc3)cc2[N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.63
AKR1C2 P52895 5/20 0.63
AKR1C4 P17516 4/20 0.63
AKR1C1 Q04828 4/20 0.63
AKR1B1 P15121 2/20 0.63
AKR1B10 O60218 1/20 0.60
HCAR3 P49019 2/20 0.58
AR P10275 1/20 0.57
KMT2A Q03164 9/20 0.56
MEN1 O00255 7/20 0.56
MYC P01106 1/20 0.56
MAPT P10636 5/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL27481893 0.93 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2943448 0.86 KMT2A (0.50) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2643731 0.83 EGFR (0.43) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2643886 0.83 L3MBTL1 (0.42) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2643778 0.82 GAA (0.54) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2644364 0.80 L3MBTL1 (0.40) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL27579944 0.79 AKR1C4 (0.43) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL7820330 0.79 MAPT (0.40) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL2661542 0.79 AKR1C4 (0.42) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1
SCHEMBL7439285 0.78 AKR1C4 (0.72) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B1

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