SCHEMBL3983797

SCHEMBL3983797

COCC[N+](C)(Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.54
IKBKB O14920 12/20 0.53
CHEK1 O14757 5/20 0.43
HPGD P15428 1/20 0.38

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
SCHEMBL3614907 0.78 MAP3K7 (0.54) MAP3K7IKBKBCHEK1
SCHEMBL3607420 0.74 CHEK1 (0.74) MAP3K7IKBKBCHEK1
SCHEMBL3608243 0.74 IKBKB (0.55) MAP3K7IKBKBCHEK1
SCHEMBL3612207 0.73 MAP3K7 (0.62) MAP3K7IKBKBCHEK1
SCHEMBL3612210 0.73 CHEK1 (0.65) MAP3K7IKBKBCHEK1
SCHEMBL3611798 0.72 MAP3K7 (0.61) MAP3K7IKBKBCHEK1
SCHEMBL3611804 0.71 MAP3K7 (0.60) MAP3K7IKBKBCHEK1
SCHEMBL1385004 0.71 IKBKB (1.00) MAP3K7IKBKBCHEK1HPGD
SCHEMBL3842698 0.70 MAP3K7 (1.00) MAP3K7IKBKBCHEK1
SCHEMBL3608241 0.70 IKBKB (0.55) MAP3K7IKBKBCHEK1

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
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 US disclosed