SCHEMBL1663533

SCHEMBL1663533

COC(=O)c1nn2c(CO)cc(C3CC3)cc2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ SLC6A3 Q01959 4/20 0.32
▸ PLAT P00750 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HSP90B1 P14625 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ TPH1 P17752 1/20 0.30

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
SCHEMBL1662681 0.83 SPR (0.33) SPRPDE4BSLC6A3PLATALDH1A1
SCHEMBL1663070 0.81 SPR (0.32) SPRACACBPDE4BSLC6A3PLAT
SCHEMBL1662501 0.81 HPGD (0.42) SPRPLATALDH1A1
SCHEMBL1663316 0.81 SPR (0.34) SPRPDE4BSLC6A3PLATALDH1A1
SCHEMBL1662714 0.80 SPR (0.33) SPRPDE4BSLC6A3
SCHEMBL1665409 0.80 SLC6A3 (0.40) SLC6A3ALDH1A1
SCHEMBL1662717 0.79 LIPG (0.36) SPRPDE4B
SCHEMBL1662940 0.78 HIF1A (0.30) —
SCHEMBL1664392 0.77 JAK1 (0.37) SPR
SCHEMBL1663215 0.77 PDE4D (0.33) SPRACACBPDE4BSLC6A3

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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