SCHEMBL8308729

SCHEMBL8308729

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCC(N6CCCC6)CC5)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.61
CHUK O15111 18/20 0.61
MBTD1 Q05BQ5 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
IKBKG Q9Y6K9 8/20 0.54
MEN1 O00255 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
PRKCZ Q05513 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51

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
SCHEMBL8311423 0.93 IKBKB (0.67) IKBKBCHUKMTORSMG1
SCHEMBL8311421 0.92 IKBKB (0.66) IKBKBCHUKMTORSMG1
SCHEMBL8312614 0.92 IKBKB (0.66) IKBKBCHUKMTORSMG1
SCHEMBL8308663 0.91 MBTD1 (0.61) IKBKBCHUKMBTD1L3MBTL3L3MBTL1
SCHEMBL8313896 0.91 IKBKB (0.63) IKBKBCHUKMTORSMG1
SCHEMBL14063888 0.91 IKBKB (0.63) IKBKBCHUKKMT2A
SCHEMBL8308545 0.91 IKBKB (0.69) IKBKBCHUKMTORSMG1
SCHEMBL8308969 0.89 MBTD1 (0.57) IKBKBCHUKMBTD1L3MBTL3L3MBTL1
SCHEMBL8308666 0.88 IKBKB (0.65) IKBKBCHUK
SCHEMBL8311631 0.87 IKBKB (0.59) IKBKBCHUKMTORSMG1

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