SCHEMBL7086867

SCHEMBL7086867

NC(=O)N(C(N)=O)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TBXAS1 P24557 2/20 0.33
KMT2A Q03164 1/20 0.32
GDA Q9Y2T3 1/20 0.31
FDPS P14324 2/20 0.31
PARP1 P09874 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
SCHEMBL1303712 0.80 CSNK1A1 (0.37) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL6692287 0.80 CSNK1A1 (0.34) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL28470761 0.77 CSNK1A1 (0.35) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL16448086 0.76 TAAR1 (0.35) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL10858073 0.75 KDM4E (0.31) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL27467097 0.73 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL31169778 0.72 ALDH1A1 (0.39) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL29053330 0.72 CSNK1A1 (0.41) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL28717458 0.71 KLK1 (0.34) CSNK1A1TYRO3DYRK1BALDH1A1SMN1; SMN2
SCHEMBL9440949 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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-1328272-A1 NF-KAPPA-B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-23 EP disclosed
WO-2002030423-A1 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed