SCHEMBL6617686

SCHEMBL6617686

Cn1cc(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
CASP1 P29466 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.46
AURKA O14965 2/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDC7 O00311 1/20 0.43
PARP1 P09874 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL18017490 0.81 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL30894812 0.80 KMT2A (0.46) CA12CA1CA2CA9CASP1
SCHEMBL15750734 0.80 CA12 (0.55) CA12CA1CA2CA9KMT2A
SCHEMBL26424817 0.79 CA12 (0.53) CA12CA1CA2CA9CASP1
SCHEMBL23928504 0.79 CA12 (0.75) CA12CA1CA2CA9MAPT
SCHEMBL4319645 0.77 MAPT (0.48) CA12CA1CA2CA9MAPT
SCHEMBL17385337 0.77 MAPT (0.48) CA12CA1CA2CA9MAPT
SCHEMBL11606707 0.75 CHEK1 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL11379771 0.74 MAPT (0.43) MAPTPOLBSMN1; SMN2
SCHEMBL4261672 0.74 POLB (0.46) CA12CA1CA2CA9CASP1

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-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO disclosed