SCHEMBL4566579

SCHEMBL4566579

O=C(O)CC(NC(=O)c1c(O)c2cccnc2n(Cc2ccc(C(F)(F)F)cc2)c1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
CNR1 P21554 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
EGLN1 Q9GZT9 7/20 0.47
EGLN2 Q96KS0 4/20 0.47
EGLN3 Q9H6Z9 4/20 0.47
CYSLTR2 Q9NS75 1/20 0.43
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3512358 1.00 CNR2 (0.54) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3512643 1.00 CNR2 (0.54) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3513720 0.92 CNR2 (0.57) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3516806 0.91 CNR2 (0.56) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3514102 0.91 CNR2 (0.56) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3512393 0.88 CNR2 (0.58) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3513909 0.88 CNR2 (0.58) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3512731 0.85 EGLN1 (0.65) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3513022 0.81 CNR2 (0.66) CNR2CNR1PTGDR2EGLN1EGLN2
SCHEMBL3515172 0.77 EGLN2 (0.46) CNR2CNR1EGLN1EGLN2EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101663037-A Novel 1,8-naphthyridine compounds MERCK & CO INC 2010-03-03 CN claimed
CN-101663037-A Novel 1,8-naphthyridine compounds MERCK & CO INC 2010-03-03 CN disclosed
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO disclosed