SCHEMBL6534285

SCHEMBL6534285

Clc1cc(C=Cc2ccccc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
POLB P06746 1/20 0.66
NPC1 O15118 4/20 0.54
PKM P14618 4/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
CTNNB1 P35222 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRM4 Q14833 3/20 0.45
PDGFRB P09619 1/20 0.45

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
SCHEMBL6534280 1.00 KDM4E (0.66) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL14279421 0.79 KDM4E (1.00) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL4810314 0.79 KDM4E (1.00) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL6492672 0.79 KDM4E (0.66) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL6492668 0.79 KDM4E (0.66) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL18740730 0.79 MAOA (0.45) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL31428642 0.79 MAOA (0.45) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL4387472 0.79 MAOA (0.45) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL10662516 0.77 KDM4E (0.67) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL10662511 0.77 KDM4E (0.67) KDM4ERAB9AMAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4304841-A DISULFIDE COMPOUND TO LOWER SENSITIVITY TO OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-08 US disclosed
US-4272609-A 2-ALKENYL QUINOLINE PHOTOINITIATOR HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-09 US disclosed