SCHEMBL5223393

SCHEMBL5223393

O=C(N[C@@H]1CCN(C(=O)O)C1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.57
USP30 Q70CQ3 4/20 0.55
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.46
MMP2 P08253 1/20 0.46
ANPEP P15144 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4D Q6B0I6 1/20 0.45

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
SCHEMBL5223407 1.00 KDM5A (0.57) KDM5AUSP30CTSLCTSBCTSK
SCHEMBL31264267 0.91 KMT2A (0.53) KDM5AUSP30KDM4EGAAMEN1
SCHEMBL994466 0.87 CTSL (0.63) KDM5ACTSLCTSBCTSKMEN1
SCHEMBL3217188 0.84 KDM5A (0.60) KDM5ACTSLCTSBCTSKHTT
SCHEMBL25400740 0.83 CYP1A2 (0.57) KDM5AUSP30CTSLCTSBCTSK
SCHEMBL27100904 0.83 CYP1A2 (0.57) KDM5AUSP30CTSLCTSBCTSK
SCHEMBL2787006 0.83 KDM5A (0.43) KDM5AUSP30CTSLCTSBCTSK
SCHEMBL25403939 0.83 CYP1A2 (0.57) KDM5AUSP30CTSLCTSBCTSK
SCHEMBL22394667 0.82 KDM5A (0.42) KDM5AUSP30KDM4EGAAHTT
SCHEMBL29175675 0.82 KDM5A (0.42) KDM5AUSP30KDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed