SCHEMBL10499646

SCHEMBL10499646

COc1cccc2c(Nc3ccccc3C)c(C(=O)c3ccccc3)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.74
ATP4B P51164 1/20 0.74

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
SCHEMBL10499224 0.92 ATP4A (0.62) ATP4AATP4B
SCHEMBL11242372 0.91 ATP4A (0.77) ATP4AATP4B
Hydrochloric Acid SCHEMBL11239629 0.90 ATP4A (0.76) ATP4AATP4B
SCHEMBL9652120 0.89 ATP4A (0.77) ATP4AATP4B
SCHEMBL10499863 0.86 ATP4A (0.56) ATP4AATP4B
SCHEMBL9650910 0.86 ATP4A (0.73) ATP4AATP4B
SCHEMBL9318845 0.85 ATP4A (0.85) ATP4AATP4B
SCHEMBL451221 0.85 ATP4A (1.00) ATP4AATP4B
SCHEMBL29402089 0.85 ATP4A (1.00) ATP4AATP4B
SCHEMBL10498606 0.85 ATP4A (0.81) ATP4AATP4B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806549-A INHIBITOR OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 US claimed
EP-0259174-A1 Derivatives of 4-aminoquinoline and their use as medicaments SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-09 EP claimed
US-4806549-A INHIBITOR OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 US disclosed
US-4806550-A 4-Amino-3-carbonyl substituted quinolines as inhibitors of gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 US disclosed
WO-1988001621-A1 4-AMINOQUINOLINE DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-10 WO disclosed
EP-0259174-A1 Derivatives of 4-aminoquinoline and their use as medicaments SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-09 EP disclosed