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SCHEMBL4225047

SCHEMBL4225047

COC(=O)c1nn2c(c1O)C(=O)N(C(C=O)N1CCOCC1)CC2.O=C(NCc1ccc(Cl)c(Cl)c1)c1nn2c(c1O)C(=O)N(CC(=O)N1CCOCC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CNR1 P21554 7/20 0.32
▸ CNR2 P34972 7/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ ENPP2 Q13822 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
SCHEMBL4225048 0.91 KMT2A (0.41) NAMPTKMT2AMEN1CNR1CNR2
SCHEMBL4056225 0.86 KMT2A (0.45) NAMPTKMT2AMEN1CNR1CNR2
SCHEMBL4054918 0.78 ALDH1A1 (0.32) —
SCHEMBL4054910 0.76 GAA (0.37) KMT2AMEN1
SCHEMBL4203003 0.75 LIPG (0.49) NAMPTKMT2AMEN1CNR1CNR2
SCHEMBL4225819 0.73 CNR1 (0.42) NAMPTKMT2ACNR1CNR2
SCHEMBL4055907 0.70 NAMPT (0.44) NAMPTHRH3CNR1CNR2
SCHEMBL4056258 0.68 ADAM33 (0.37) KMT2AMEN1
SCHEMBL4056252 0.66 NPSR1 (0.41) KMT2AMEN1ENPP2
SCHEMBL4198902 0.63 MEN1 (0.62) KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 — — EP disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 — — EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 — — WO disclosed