SCHEMBL9510355

SCHEMBL9510355

CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)cc1C

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.62
▸ ATP4B P51164 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL7847409 0.89 ATP4A (0.78) ATP4AATP4B
SCHEMBL9506605 0.88 ATP4A (0.80) ATP4AATP4B
Hydrochloric Acid SCHEMBL11233459 0.88 ATP4A (0.76) ATP4AATP4B
SCHEMBL11245876 0.87 ATP4A (0.68) ATP4AATP4BMEN1ALDH1A1LMNA
SCHEMBL11243344 0.86 MAPT (0.80) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL23493688 0.86 MAPT (0.72) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11237205 0.86 ATP4A (0.67) ATP4AATP4B
SCHEMBL31307860 0.86 MAPT (0.72) MEN1ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL11235097 0.86 ATP4A (0.67) ATP4AATP4BMEN1ALDH1A1LMNA
SCHEMBL11230008 0.86 MEN1 (0.66) ATP4AATP4BMEN1ALDH1A1LMNA

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-0342775-B1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-15 — — EP disclosed
US-5143920-A Antiulcer, antisecretory SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-09-01 — — US disclosed
EP-0342775-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-11-23 — — EP disclosed
Send feedback