SCHEMBL7653975

SCHEMBL7653975

O=C(CF)Nc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
EPHX2 P34913 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11705096 0.83 SCN1A (0.33) SCN1ASCN2ASCN3AEPHX2HDAC6
SCHEMBL1133942 0.81 MAPT (0.47) ALDH1A1GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL2658831 0.81 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL7648764 0.81 JAK3 (0.37) SCN1ASCN2ASCN3AEPHX2HDAC6
SCHEMBL7528436 0.81 TDP1 (0.37) SCN1ASCN2ASCN3AEPHX2GAA
SCHEMBL891250 0.81 CA1 (0.44) MMP2HDAC6
SCHEMBL28036634 0.81 POLB (0.38) SCN1ASCN2ASCN3AEPHX2HDAC6
SCHEMBL2181710 0.80 TERT (0.41) MMP2HDAC6ALDH1A1GAAMAPT
SCHEMBL3761921 0.79 EPHX2 (0.58) EPHX2HDAC6ALDH1A1GAAMAPT
SCHEMBL3984134 0.79 L3MBTL1 (0.53) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A

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