SCHEMBL4728869

SCHEMBL4728869

CN(C)CC(=O)Nc1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.79
PARP14 Q460N5 2/20 0.79
TNKS O95271 1/20 0.79
PARP15 Q460N3 1/20 0.79
PARP10 Q53GL7 1/20 0.79
PARP12 Q9H0J9 1/20 0.79
TNKS2 Q9H2K2 1/20 0.79
PARP2 Q9UGN5 1/20 0.79
PARP4 Q9UKK3 1/20 0.79
PARP3 Q9Y6F1 1/20 0.79
TRPM2 O94759 1/20 0.76
KDM4E B2RXH2 2/20 0.66
MTNR1A P48039 1/20 0.66
MTNR1B P49286 1/20 0.66
KMT2A Q03164 1/20 0.66
P2RY12 Q9H244 2/20 0.60
NPY5R Q15761 5/20 0.58
TERT O14746 1/20 0.57

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
Pj34 SCHEMBL422317 0.88 PARP1 (1.00) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL29355630 0.88 PARP1 (1.00) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL29375455 0.88 PARP1 (1.00) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL29419962 0.87 PARP1 (0.98) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL5074001 0.87 PARP1 (0.98) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL29478302 0.87 PARP1 (0.98) PARP1PARP14TNKSPARP15PARP10
Pj34 SCHEMBL31153313 0.86 TRPM2 (1.00) PARP1PARP14TNKSPARP15PARP10
SCHEMBL19308466 0.83 P2RY12 (0.71) PARP1PARP14TNKSPARP15PARP10
SCHEMBL19308451 0.83 KDM4E (0.74) PARP1PARP14TNKSPARP15PARP10
SCHEMBL31488126 0.80 MTNR1A (1.00) KDM4EMTNR1AMTNR1BKMT2AP2RY12

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed