SCHEMBL6801342

SCHEMBL6801342

CC(C)(C)OC(=O)Cc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPT P10636 5/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8592141 0.79 CYP1A2 (0.44) MAPTTDP1GAA
SCHEMBL17165345 0.79 HTT (0.41) GAA
SCHEMBL20508956 0.77 TDP1 (0.37) L3MBTL1MAPTTDP1GAAPOLB
SCHEMBL2060117 0.76 KDM4E (0.35) MAPT
SCHEMBL9656457 0.75 — —
SCHEMBL17060282 0.74 PDPK1 (0.32) —
SCHEMBL9658138 0.73 — —
SCHEMBL10047090 0.73 L3MBTL1 (0.42) L3MBTL1MAPTTDP1POLBNPSR1
SCHEMBL5066802 0.73 ADORA1 (0.37) MAPTGAA
SCHEMBL9176115 0.73 GDA (0.32) —

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 — — US disclosed
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