SCHEMBL9687149

SCHEMBL9687149

COc1ccccc1N1CCc2cnc3c(OC)cccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A3 Q01959 1/20 0.49
GAA P10253 1/20 0.48
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
EGFR P00533 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
Hydrochloric Acid SCHEMBL9686490 0.99 KDM4E (0.62) KDM4EALDH1A1GLAHTTMAPT
SCHEMBL9684850 0.85 ATP4A (0.52) KDM4EALDH1A1GLAHTTMAPT
SCHEMBL9684754 0.78 KDM4E (0.51) KDM4E
SCHEMBL9685620 0.78 KDM4E (1.00) KDM4EALDH1A1GLAHTTLMNA
SCHEMBL9685760 0.77 KDM4E (0.80) KDM4EALDH1A1GLAHTTLMNA
SCHEMBL9685928 0.77 KDM4E (0.80) KDM4EALDH1A1GLAHTTLMNA
SCHEMBL7958379 0.72 GSK3A (0.56) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL9685162 0.71 KDM4E (0.86) KDM4EALDH1A1GLAHTTLMNA
SCHEMBL7488879 0.71 KDM4E (0.66) KDM4EALDH1A1GLAHTTLMNA
SCHEMBL7496616 0.69 KDM4E (0.62) KDM4EALDH1A1GLAHTTLMNA

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 1 patent. 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