SCHEMBL9540575

SCHEMBL9540575

O=[N+]([O-])c1ccccc1NCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
PKM P14618 3/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
ALDH1A1 P00352 4/20 0.58
GAA P10253 3/20 0.58
HTR6 P50406 2/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL26922924 0.89 CDK5 (0.59) MAPTPKMLMNAHTTCDK5
SCHEMBL29996285 0.89 CDK5 (0.59) MAPTPKMLMNAHTTCDK5
SCHEMBL4936233 0.86 MAPT (0.56) MAPTPKMLMNAHTTL3MBTL1
SCHEMBL26922792 0.85 MAPT (0.62) MAPTPKMLMNAHTTL3MBTL1
SCHEMBL102602 0.83 MAPT (0.77) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL14247319 0.83 MAPT (0.62) MAPTPKMLMNAHTTCDK5
SCHEMBL22456492 0.83 HTR6 (0.65) MAPTPKMLMNAHTTCDK5
SCHEMBL30612259 0.83 MAPT (0.63) MAPTPKMLMNAHTTCDK5
SCHEMBL22456074 0.83 TP53 (0.64) MAPTPKMLMNAL3MBTL1CDK5
SCHEMBL26921890 0.83 MAPT (0.63) MAPTPKMLMNAHTTCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
EP-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP disclosed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US disclosed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP disclosed