SCHEMBL30362248

SCHEMBL30362248

Cc1nn(-c2ccc(NC(=O)OC(C)(C)C)cn2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
MAPKAPK2 P49137 4/20 0.36
NAMPT P43490 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
RORC P51449 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
USP30 Q70CQ3 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL25251320 1.00 PTGDR2 (0.38) PTGDR2MAPKAPK2NAMPTAAK1PRMT5
SCHEMBL25350925 0.89 NAMPT (0.35) PTGDR2MAPKAPK2NAMPTAAK1PRMT5
SCHEMBL30362262 0.89 NAMPT (0.35) PTGDR2MAPKAPK2NAMPTAAK1PRMT5
SCHEMBL30362298 0.88 MAPKAPK2 (0.36) PTGDR2MAPKAPK2NAMPTAAK1PRMT5
SCHEMBL25254861 0.88 MAPKAPK2 (0.36) PTGDR2MAPKAPK2NAMPTAAK1PRMT5
SCHEMBL25297826 0.87 AR (0.39) MAPKAPK2NAMPTAAK1
SCHEMBL30362342 0.87 AR (0.39) MAPKAPK2NAMPTAAK1
SCHEMBL24896779 0.87 PTGDR2 (0.34) PTGDR2MAPKAPK2NAMPTAAK1RORC
SCHEMBL30192548 0.87 PTGDR2 (0.34) PTGDR2MAPKAPK2NAMPTAAK1RORC
SCHEMBL25350428 0.87 MAPT (0.35) KDM4EMAPT

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
CN-115989225-A Imidazole-pyrazole derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed