SCHEMBL7654180

SCHEMBL7654180

O=C(CCCCBr)Nc1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC7 Q8WUI4 11/20 0.48
HDAC11 Q96DB2 11/20 0.48
HDAC8 Q9BY41 11/20 0.48
HDAC6 Q9UBN7 11/20 0.48
HDAC9 Q9UKV0 11/20 0.48
HDAC5 Q9UQL6 11/20 0.48
HDAC3 O15379 10/20 0.48
HDAC2 Q92769 10/20 0.48
HDAC10 Q969S8 10/20 0.48
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
NCOR1 O75376 1/20 0.47
NR1I2 O75469 1/20 0.47
EGFR P00533 1/20 0.47
CYP3A4 P08684 1/20 0.47
LTA4H P09960 1/20 0.47
NR0B1 P51843 1/20 0.47
PLK1 P53350 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
SCHEMBL7646575 0.95 CYP3A4 (0.46) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1353608 0.87 TP53 (0.43) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7651305 0.83 HDAC1 (0.47) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7649688 0.83 HDAC1 (0.49) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7649858 0.83 HDAC1 (0.49) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL5306363 0.83 CA1 (0.59) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL31203466 0.82 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL9776434 0.81 SOAT2 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1005094 0.81 SOAT2 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL11365418 0.81 SOAT2 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8

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