SCHEMBL9685620

SCHEMBL9685620

COc1ccccc1N1CCc2c(C)nc3c(OC)cccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 0.78
GLA P06280 1/20 0.78
HTT P42858 1/20 0.78
NPC1 O15118 1/20 0.71
LMNA P02545 1/20 0.71
RAD52 P43351 1/20 0.71
MEN1 O00255 1/20 0.60
JAK2 O60674 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL9685162 0.93 KDM4E (0.86) KDM4EALDH1A1GAAGLAHTT
SCHEMBL9685760 0.89 KDM4E (0.80) KDM4EALDH1A1GAAGLAHTT
SCHEMBL9685928 0.89 KDM4E (0.80) KDM4EALDH1A1GAAGLAHTT
SCHEMBL2833853 0.88 KDM4E (1.00) KDM4EALDH1A1GAAGLAHTT
SCHEMBL9684732 0.84 KDM4E (0.72) KDM4EALDH1A1GAAGLAHTT
SCHEMBL457100 0.82 KDM4E (0.83) KDM4EALDH1A1GAAGLAHTT
SCHEMBL2573856 0.80 KDM4E (0.78) KDM4EALDH1A1GAAGLAHTT
SCHEMBL7488879 0.80 KDM4E (0.66) KDM4EALDH1A1GAAGLAHTT
SCHEMBL457341 0.79 KDM4E (0.81) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2834772 0.78 KDM4E (0.79) 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 5 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
JP-1040482-A None JP 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