SCHEMBL10353239

SCHEMBL10353239

O=[N+]([O-])c1ccccc1NCc1c(Cl)cccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
MAPK1 P28482 3/20 0.75
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
IDO1 P14902 1/20 0.54
KAT2B Q92831 2/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 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
SCHEMBL7328985 0.86 MAPT (1.00) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL10507614 0.83 MAPT (0.56) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL7164868 0.80 MAPT (0.84) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL95561 0.79 MAPT (1.00) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL10353546 0.79 MAPT (0.72) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL10353602 0.79 MAPT (0.72) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL7170786 0.79 MAPT (0.68) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL10353552 0.78 MAPT (0.76) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL102602 0.78 MAPT (0.77) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9781715 0.77 KAT2B (0.64) MAPTL3MBTL1MAPK1MEN1KMT2A

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-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 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