SCHEMBL9684739

SCHEMBL9684739

Cc1cc(O)ccc1N1CCc2c(C)nc3ccccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PDE5A O76074 2/20 0.43

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
SCHEMBL9684726 0.85 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL9685518 0.84 MEN1 (0.58) KDM4EALDH1A1GLAGAAHTT
SCHEMBL2833278 0.79 KDM4E (0.54) KDM4EALDH1A1GLAGAAHTT
Hydrochloric Acid SCHEMBL9863997 0.79 PKMYT1 (0.37) KDM4EALDH1A1GLAGAAPDE5A
SCHEMBL9685720 0.78 KDM4E (0.56) KDM4EALDH1A1GLAGAAHTT
SCHEMBL27727443 0.78 KDM4E (0.47) KDM4EALDH1A1GLAGAAHTT
SCHEMBL2833129 0.78 KDM4E (0.66) KDM4EALDH1A1GLAGAAHTT
SCHEMBL2830052 0.75 KDM4E (0.65) KDM4EALDH1A1GLAGAAHTT
SCHEMBL9684763 0.73 KDM4E (0.67) KDM4EALDH1A1
SCHEMBL9686707 0.72 KDM4E (0.47) KDM4E

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 3 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 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