SCHEMBL5755261

SCHEMBL5755261

CN(C)c1ncc(-c2cccc(Nc3ccc(-n4cccc4)cc3[N+](=O)[O-])c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PABPC1 P11940 1/20 0.38
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
MAPK1 P28482 3/20 0.37
ALDH3A1 P30838 2/20 0.36
HCAR3 P49019 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2647397 0.85 L3MBTL1 (0.40) L3MBTL1MAPTALDH1A1MEN1KMT2A
Fluoride SCHEMBL27482913 0.83 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8323635 0.83 DHFR (0.40) L3MBTL1MAPT
SCHEMBL2649533 0.82 ALDH1A1 (0.44) L3MBTL1ALDH1A1HCAR3
SCHEMBL7834274 0.82 AKR1B1 (0.36) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL7828783 0.79 TP53 (0.41) MAPTAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2645891 0.79 MEN1 (0.43) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL2654269 0.73 EGFR (0.46) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL2643462 0.72 MEN1 (0.54) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL2644364 0.70 L3MBTL1 (0.40) L3MBTL1MAPTALDH1A1MEN1KMT2A

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 2 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