SCHEMBL7654173

SCHEMBL7654173

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL7646570 0.88 KMT2A (0.47) TAS1R3TAS1R1ALDH1A1KMT2ATSHR
SCHEMBL7649848 0.82 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1KMT2ACA1
SCHEMBL7651298 0.82 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1KMT2ACA1
SCHEMBL7654908 0.80 MDM4 (0.35) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9812966 0.77 HDAC8 (0.50) ALDH1A1KMT2ACA1CA2MEN1
SCHEMBL16935708 0.77 CHEK1 (0.46) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL31374622 0.76 KMT2A (0.53) ALDH1A1KMT2ATSHRHSD17B10POLB
SCHEMBL1880904 0.76 MDM4 (0.49) ALDH1A1KMT2ACA1CA2KDM4E
SCHEMBL7650188 0.76 TSHR (0.36) TAS1R3TAS1R1ALDH1A1KMT2ATSHR
SCHEMBL7652878 0.76 TSHR (0.36) TAS1R3TAS1R1ALDH1A1KMT2ATSHR

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