SCHEMBL8487682

SCHEMBL8487682

COc1ccccc1N1CCc2c1c1cccc(OC)c1[nH]c2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.48
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
ATM Q13315 1/20 0.42
PARP1 P09874 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL8482120 0.92 KDM4E (0.57) KDM4EALDH1A1GLAGAAHTT
SCHEMBL8484042 0.92 KDM4E (0.52) KDM4EALDH1A1HPGD
SCHEMBL7498546 0.90 KDM4E (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8480746 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7495661 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9685709 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDTNKSTNKS2
SCHEMBL8487677 0.84 CYP1A2 (0.46) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL8484525 0.84 NQO2 (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8483481 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8071575 0.79 KDM4E (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP claimed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP claimed
US-5914402-A Process for preparing 1-aryl-4-oxopyrrolo 3,2-c! quinoline derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-06-22 US disclosed
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP disclosed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US disclosed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP disclosed