SCHEMBL1662681

SCHEMBL1662681

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ ELANE P08246 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ PLAT P00750 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL1663705 0.86 SPR (0.34) SPRELANEKMT2ANPSR1PLAT
SCHEMBL1662835 0.85 SMURF2 (0.37) —
SCHEMBL29155775 0.84 ELANE (0.34) SPRELANEKMT2ANPSR1PLAT
SCHEMBL1663070 0.83 SPR (0.32) SPRSLC6A3PDE4BPLATALDH1A1
SCHEMBL1663533 0.83 SPR (0.32) SPRSLC6A3PDE4BPLATALDH1A1
SCHEMBL1662501 0.82 HPGD (0.42) SPRKMT2APLATALDH1A1MAPT
SCHEMBL1663316 0.82 SPR (0.34) SPRSLC6A3PDE4BPLATLMNA
SCHEMBL1662714 0.81 SPR (0.33) SPRSLC6A3PDE4BNPBWR1
SCHEMBL1665409 0.81 SLC6A3 (0.40) SLC6A3ELANEKMT2ANPSR1LMNA
SCHEMBL1662717 0.81 LIPG (0.36) SPRPDE4BLMNATSHR

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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