SCHEMBL8129697

SCHEMBL8129697

CCOC(=O)C(F)C(=O)c1cc(F)c(N2CCN(C)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK10 P53779 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL8155559 0.86 SIGMAR1 (0.38) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL8136241 0.83 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10510642 0.78 CES2 (0.46) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL10516761 0.76 CA12 (0.34) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3190052 0.74 CES2 (0.39) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL10830983 0.73 CES2 (0.47) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3615922 0.72 MEN1 (0.44) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3615919 0.72 MEN1 (0.44) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL9046842 0.72 CES2 (0.37) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL7004956 0.72 ALDH1A1 (0.35) MEN1KMT2AL3MBTL1MAPTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675880-B1 QUINOLINE DISULFIDES AS INTERMEDIATES ARCHIMICA SPA (IT) 2000-01-05 EP claimed
EP-0675880-A1 QUINILONE DISULFIDE AS INTERMEDIATES ARCHIMICA S.P.A. (IT) 1995-10-11 EP claimed
WO-1995011886-A1 QUINILONE DISULFIDE AS INTERMEDIATES ARCHIMICA S.P.A. (IT) 1995-05-04 WO claimed
EP-0675880-B1 QUINOLINE DISULFIDES AS INTERMEDIATES ARCHIMICA SPA (IT) 2000-01-05 EP disclosed
US-5731433-A Process for the preparation of rufloxacin and salts thereof ARCHIMICA SPA (IT) 1998-03-24 US disclosed
US-5703233-A Quinilone disulfide as intermediates ARCHIMICA SPA (IT) 1997-12-30 US disclosed
EP-0725785-B1 PROCESS FOR THE PREPARATION OF RUFLOXACIN AND SALTS THEREOF ARCHIMICA SPA (IT) 1997-07-23 EP disclosed
EP-0725785-A1 PROCESS FOR THE PREPARATION OF RUFLOXACIN AND SALTS THEREOF ARCHIMICA SPA (IT) 1996-08-14 EP disclosed
EP-0675880-A1 QUINILONE DISULFIDE AS INTERMEDIATES ARCHIMICA S.P.A. (IT) 1995-10-11 EP disclosed
WO-1995011907-A1 PROCESS FOR THE PREPARATION OF RUFLOXACIN AND SALTS THEREOF ARCHIMICA S.P.A. (IT) 1995-05-04 WO disclosed
WO-1995011886-A1 QUINILONE DISULFIDE AS INTERMEDIATES ARCHIMICA S.P.A. (IT) 1995-05-04 WO disclosed