SCHEMBL7651298

SCHEMBL7651298

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7652878 0.88 TSHR (0.36) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL7649848 0.82 TAS1R3 (0.40) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL7654173 0.82 TAS1R3 (0.38) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL7654892 0.80 MDM4 (0.35) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16935708 0.77 CHEK1 (0.46) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9812966 0.77 HDAC8 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1880904 0.76 MDM4 (0.49) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL7646570 0.76 KMT2A (0.47) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL7650188 0.76 TSHR (0.36) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL7648457 0.76 ALDH1A1 (0.37) TAS1R3TAS1R1MEN1KMT2AALDH1A1

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