SCHEMBL7328985

SCHEMBL7328985

O=[N+]([O-])c1ccccc1NCc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MAPK1 P28482 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
IDO1 P14902 1/20 0.52
KAT2B Q92831 2/20 0.51
KDM4E B2RXH2 2/20 0.50
TDO2 P48775 1/20 0.49

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
SCHEMBL10353239 0.86 MAPT (0.75) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL23270782 0.83 MAPT (0.71) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL7322946 0.83 MAPT (0.71) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL23178229 0.81 MAPT (0.68) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL9422885 0.80 MAPT (0.66) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL6169109 0.80 MAPT (0.66) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL23270774 0.80 MAPT (0.66) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL9422922 0.80 MAPT (0.66) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL17962349 0.79 MAPT (0.64) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL7164868 0.78 MAPT (0.84) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP disclosed