SCHEMBL11245876

SCHEMBL11245876

CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.68
ATP4B P51164 1/20 0.68
MAPT P10636 2/20 0.66
TP53 P04637 1/20 0.66
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 1/20 0.65

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 SCHEMBL11235097 0.99 ATP4A (0.67) ATP4AATP4BMAPTTP53MEN1
SCHEMBL11250655 0.96 THRB (0.67) ATP4AATP4BMAPTTP53MEN1
SCHEMBL11244936 0.96 THRB (0.70) ATP4AATP4BMAPTTP53MEN1
Hydrochloric Acid SCHEMBL11233513 0.95 THRB (0.69) ATP4AATP4BMAPTTP53MEN1
Hydrochloric Acid SCHEMBL11242573 0.95 THRB (0.66) ATP4AATP4BMAPTTP53MEN1
SCHEMBL7847409 0.94 ATP4A (0.78) ATP4AATP4B
SCHEMBL11246519 0.94 THRB (0.67) ATP4AATP4BMAPTTP53
Hydrochloric Acid SCHEMBL11238176 0.93 THRB (0.66) ATP4AATP4BMAPTTP53
Hydrochloric Acid SCHEMBL11233459 0.93 ATP4A (0.76) ATP4AATP4B
SCHEMBL11241711 0.93 ATP4A (0.64) ATP4AATP4BMAPTTP53

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
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US claimed