SCHEMBL7653547

SCHEMBL7653547

C[N+](C)(C)CC(=O)Nc1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
PARP1 P09874 2/20 0.43
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CA7 P43166 2/20 0.38
HPGD P15428 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7651901 0.82 LMNA (0.56) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7652443 0.82 TERT (0.55) SCN1ASCN2ASCN3APOLBCA1
SCHEMBL13901427 0.81 SCN1A (0.76) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7651530 0.80 CYP3A4 (0.46) MEN1KMT2ACYP1A2CYP2C9CA1
SCHEMBL98001 0.79 GAA (0.56) MEN1KMT2APOLBATMCA1
SCHEMBL7648383 0.78 L3MBTL1 (0.47) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL196368 0.76 MEN1 (0.42) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL8118546 0.76 CA1 (0.56) MEN1KMT2APOLBCA1CA2
SCHEMBL10962729 0.76 HPGD (0.62) MEN1KMT2APOLBCA1CA2
SCHEMBL145468 0.76 TP53 (0.67) MEN1KMT2ACYP2C19CA1CA2

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