SCHEMBL6534205

SCHEMBL6534205

CCC(N)C(O)c1cc(-c2ccccc2)nc2ccc(C)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 4/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 3/20 0.46
THRB P10828 2/20 0.46
HSP90AA1 P07900 2/20 0.42
DHODH Q02127 3/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6534232 0.86 MAPK1 (0.48) KDM4EALDH1A1HSD17B10MAPK1MAPT
SCHEMBL6534504 0.84 KDM4E (0.56) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL6534198 0.74 PDE10A (0.56) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL10610649 0.72 KDM4E (0.66) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL18698068 0.72 ALDH1A1 (0.85) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL11528110 0.72 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL6534631 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL27471056 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL8548422 0.70 ACHE (0.54) KDM4EMAPK1MAPTNPSR1LMNA
SCHEMBL27865637 0.69 KDM4E (0.79) KDM4EALDH1A1HSD17B10MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181059-C Quinoline-4-base deviative I - 2004-12-22 CN claimed
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US claimed
CN-1290698-A Quinoline-4-base deviative I HOFFMANN LA ROCHE (CH) 2001-04-11 CN claimed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP claimed
CN-1181059-C Quinoline-4-base deviative I - 2004-12-22 CN disclosed
CN-1181059-C Quinoline-4-base deviative I - 2004-12-22 CN disclosed
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
CN-1290698-A Quinoline-4-base deviative I HOFFMANN LA ROCHE (CH) 2001-04-11 CN disclosed
CN-1290698-A Quinoline-4-base deviative I HOFFMANN LA ROCHE (CH) 2001-04-11 CN disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed