SCHEMBL8309612

SCHEMBL8309612

O=C(c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)n2)cc1)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.71
CHUK O15111 18/20 0.71
MAPK8 P45983 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
SCHEMBL8313912 0.91 IKBKB (0.75) IKBKBCHUK
SCHEMBL8313405 0.91 IKBKB (0.74) IKBKBCHUK
SCHEMBL8313896 0.90 IKBKB (0.63) IKBKBCHUK
SCHEMBL8312299 0.89 IKBKB (0.72) IKBKBCHUK
SCHEMBL8308663 0.88 MBTD1 (0.61) IKBKBCHUK
SCHEMBL8308557 0.88 IKBKB (0.59) IKBKBCHUKMAPK8
SCHEMBL8312637 0.87 IKBKB (0.80) IKBKBCHUK
SCHEMBL8313300 0.86 IKBKB (0.55) IKBKBCHUK
SCHEMBL14063909 0.83 IKBKB (0.63) IKBKBCHUK
SCHEMBL14063912 0.83 IKBKB (0.64) IKBKBCHUK

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
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed