SCHEMBL6534504

SCHEMBL6534504

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PLA2G2A P14555 4/20 0.53
CALCRL Q16602 3/20 0.52
ALDH1A1 P00352 2/20 0.49
TACR3 P29371 3/20 0.47
ACACA Q13085 1/20 0.47
NQO2 P16083 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14040372 0.87 KDM4E (0.63) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL6534205 0.84 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL6534232 0.83 MAPK1 (0.48) KDM4EMEN1KMT2AALDH1A1AURKA
SCHEMBL10199562 0.80 KDM4E (0.68) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL6534198 0.78 PDE10A (0.56) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21316884 0.78 ROCK2 (0.53) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL10610678 0.74 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL6498067 0.74 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL28350370 0.74 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL30064616 0.74 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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