SCHEMBL5032825

SCHEMBL5032825

Cc1nc2c3c(ccn2c1C)C(=O)CC(c1ccccc1)O3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.50
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
MAOB P27338 8/20 0.44
AR P10275 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
EIF4H Q15056 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1815255 0.78 RET (0.36) ATP4AATP4BKDM4EMEN1POLB
SCHEMBL4731101 0.78 RET (0.36) ATP4AATP4BKDM4EMEN1POLB
SCHEMBL1814712 0.75 CYP19A1 (0.45) CYP19A1ATP4AATP4B
SCHEMBL5557033 0.74 ATP4A (0.34) ATP4AATP4B
SCHEMBL5045178 0.74 CYP2C9 (0.52) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL5040717 0.74 CYP2C9 (0.52) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL6487366 0.73 ATP4A (0.35) ATP4AATP4B
SCHEMBL5557163 0.73 ATP4A (0.35) ATP4AATP4B
SCHEMBL4981356 0.73 ATP4A (0.35) ATP4AATP4BKDM4EABCB1MEN1
SCHEMBL5652760 0.71 ATP4A (0.32) ATP4AATP4BKDM4EMAPTL3MBTL1

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
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US claimed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP claimed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO claimed
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed