SCHEMBL7653980

SCHEMBL7653980

O=C(CF)Nc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ALB P02768 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A1 P04798 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL7649864 0.86 TP53 (0.44) POLBTP53CYP1A1L3MBTL1
SCHEMBL1353608 0.84 TP53 (0.43) MEN1KMT2APOLBHPGDTP53
SCHEMBL7650197 0.81 HDAC1 (0.46) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL196368 0.81 MEN1 (0.42) MEN1KMT2APOLBGAAEPHX2
SCHEMBL7649858 0.80 HDAC1 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL6966256 0.79 MEN1 (0.50) MEN1KMT2APOLBL3MBTL1
SCHEMBL7648257 0.79 MEN1 (0.41) MEN1KMT2APOLBGAAEPHX2
SCHEMBL7197831 0.79 NPC1 (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7648767 0.79 MEN1 (0.45) MEN1KMT2APOLBEPHX2ALDH1A1
SCHEMBL1356630 0.79 CA1 (0.55) MEN1KMT2APOLBL3MBTL1

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