SCHEMBL7654892

SCHEMBL7654892

CC(I)C(=O)Nc1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
CETP P11597 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 2/20 0.33
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1880904 0.86 MDM4 (0.49) MDM4TP53ALDH1A1MEN1KMT2A
SCHEMBL16935687 0.84 MDM4 (0.36) MDM4TP53ALDH1A1MEN1KMT2A
SCHEMBL7649860 0.83 MDM4 (0.35) MDM4TP53ALDH1A1MEN1KMT2A
SCHEMBL7654908 0.83 MDM4 (0.35) MDM4TP53ALDH1A1MEN1KMT2A
SCHEMBL28037278 0.83 TAAR1 (0.50) TAAR1XIAPBIRC2
SCHEMBL8127206 0.83 TAAR1 (0.50) TAAR1XIAPBIRC2
SCHEMBL8127204 0.83 TAAR1 (0.50) TAAR1XIAPBIRC2
SCHEMBL7648446 0.83 L3MBTL1 (0.46) MDM4TP53ALDH1A1MEN1KMT2A
SCHEMBL7652878 0.82 TSHR (0.36) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28037694 0.80 TAAR1 (0.37) MDM4TP53ALDH1A1MEN1KMT2A

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