SCHEMBL2647397

SCHEMBL2647397

O=[N+]([O-])c1cc(-n2cccc2)ccc1Nc1cccc(-c2cncnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HCAR3 P49019 1/20 0.39
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
AKR1B1 P15121 2/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
AKR1B10 O60218 1/20 0.38
HPGD P15428 1/20 0.38
ALDH3A1 P30838 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CASP7 P55210 1/20 0.36
MEN1 O00255 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
SCHEMBL2649533 0.90 ALDH1A1 (0.44) L3MBTL1ALDH1A1HCAR3CNR1ABL1
SCHEMBL5755261 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2643138 0.82 ALDH1A1 (0.43) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2645891 0.81 MEN1 (0.43) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2647222 0.81 CNR1 (0.38) L3MBTL1ALDH1A1MAPTHPGDCNR1
SCHEMBL2654269 0.79 EGFR (0.46) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2650633 0.78 HCAR3 (0.52) ALDH1A1HCAR3MAPTLMNAPOLB
SCHEMBL2643462 0.76 MEN1 (0.54) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2644364 0.74 L3MBTL1 (0.40) L3MBTL1ALDH1A1HCAR3MAPTTDP1
SCHEMBL2659734 0.72 ALDH1A1 (0.48) L3MBTL1ALDH1A1HCAR3POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821683-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2006-11-02 EP disclosed
US-5902813-A MODULATORS OF THE BENZODIAXEPINE RECEPTOR OT THE GAMMA-BUTYRIC ACID(A) RECEPTOR COMPLEX; ANXIOLYTIC, ANTIEPILEPTIC AND -CONVULSANT AGENTS; SLEEP AND MEMORY DISORDERS NEUROSEARCH A/S (DK) 1999-05-11 US disclosed
EP-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed