SCHEMBL10353552

SCHEMBL10353552

O=[N+]([O-])c1ccccc1NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
MAPK1 P28482 1/20 0.62
IDO1 P14902 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.51
EPAS1 Q99814 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KAT2B Q92831 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR6 P50406 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PHGDH O43175 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 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
SCHEMBL10353602 0.88 MAPT (0.72) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL95561 0.86 MAPT (1.00) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL7164868 0.84 MAPT (0.84) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL7170786 0.83 MAPT (0.68) MAPTL3MBTL1MAPK1LMNAKAT2B
SCHEMBL10353546 0.82 MAPT (0.72) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL102602 0.82 MAPT (0.77) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL10353596 0.82 MAPT (0.62) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL5021178 0.81 MAPT (0.51) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL10353603 0.81 MAPT (0.61) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL132598 0.80 MAPT (0.77) MAPTL3MBTL1MAPK1IDO1TDP1

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