SCHEMBL7654899

SCHEMBL7654899

O=C(CCI)Nc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP1A1 P04798 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 2/20 0.41
BCHE P06276 1/20 0.41
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40

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
SCHEMBL7652886 0.89 CYP3A4 (0.46) L3MBTL1CYP3A4CYP1A2CYP2D6POLB
SCHEMBL7651305 0.87 HDAC1 (0.47) L3MBTL1CYP3A4CYP1A2CYP2D6HDAC4
SCHEMBL7648257 0.84 MEN1 (0.41) TP53L3MBTL1CYP1A1CYP1A2CYP2D6
SCHEMBL7649864 0.82 TP53 (0.44) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL7648450 0.81 TP53 (0.47) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL1353608 0.81 TP53 (0.43) TP53L3MBTL1CYP1A1MAPTHTT
SCHEMBL2181711 0.81 TERT (0.51) TP53L3MBTL1MAPTHTTCYP3A4
SCHEMBL145468 0.81 TP53 (0.67) TP53MAPTHTTHDAC4HDAC1
SCHEMBL3337034 0.81 CYP1A1 (0.65) TP53L3MBTL1CYP1A1MAPTCYP1A2
SCHEMBL22560048 0.80 L3MBTL1 (0.63) L3MBTL1MAPTHTTCYP3A4CYP1A2

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 5 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
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