SCHEMBL7649864

SCHEMBL7649864

O=C(CCF)Nc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CYP1A1 P04798 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC2 Q92769 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 2/20 0.42
BCHE P06276 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41

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
SCHEMBL7650197 0.91 HDAC1 (0.46) L3MBTL1HDAC1HDAC6HDAC3HDAC2
SCHEMBL7649858 0.89 HDAC1 (0.49) L3MBTL1HDAC1HDAC6HDAC3HDAC2
SCHEMBL693849 0.89 NAMPT (0.52) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL2181711 0.86 TERT (0.51) TP53L3MBTL1MAPTHTTHDAC1
SCHEMBL1353608 0.86 TP53 (0.43) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL7653980 0.86 MEN1 (0.41) TP53L3MBTL1CYP1A1POLB
SCHEMBL2184132 0.83 LTA4H (0.51) L3MBTL1HDAC1HDAC6HDAC3HDAC2
SCHEMBL7654899 0.82 TP53 (0.43) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL3337034 0.82 CYP1A1 (0.65) TP53L3MBTL1CYP1A1MAPTCYP1A2
SCHEMBL7648450 0.82 TP53 (0.47) TP53L3MBTL1CYP1A1MAPTHTT

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
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed