SCHEMBL10353602

SCHEMBL10353602

O=[N+]([O-])c1ccccc1NCc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
IDO1 P14902 1/20 0.52
EGFR P00533 2/20 0.50
IGF1R P08069 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
PRKCQ Q04759 1/20 0.49
CRHR1 P34998 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR6 P50406 1/20 0.48
KAT2B Q92831 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL7170786 0.90 MAPT (0.68) MAPTL3MBTL1MAPK1KDM4ELMNA
SCHEMBL10353552 0.88 MAPT (0.76) MAPTL3MBTL1MAPK1TDP1IDO1
SCHEMBL1748266 0.84 MAPT (0.51) MAPTL3MBTL1MAPK1TDP1EGFR
SCHEMBL95561 0.84 MAPT (1.00) MAPTL3MBTL1MAPK1TDP1IDO1
SCHEMBL102602 0.83 MAPT (0.77) MAPTL3MBTL1MAPK1TDP1EGFR
SCHEMBL10353546 0.83 MAPT (0.72) MAPTL3MBTL1MAPK1TDP1IDO1
SCHEMBL10353608 0.83 MAPT (0.59) MAPTL3MBTL1MAPK1KDM4EPRKCQ
SCHEMBL13941340 0.83 MAPT (0.59) MAPTL3MBTL1MAPK1TDP1PRKCQ
SCHEMBL7164868 0.81 MAPT (0.84) MAPTL3MBTL1MAPK1TDP1IDO1
SCHEMBL6474912 0.81 MAPT (0.69) MAPTL3MBTL1TDP1RECQLALDH1A1

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 3 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