SCHEMBL8311370

SCHEMBL8311370

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(NS(=O)(=O)c5cccc(C)c5)cc4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
SMG1 Q96Q15 1/20 0.52
IKBKB O14920 4/20 0.49
CHUK O15111 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SYK P43405 1/20 0.48
KMT2A Q03164 1/20 0.48
BRAF P15056 3/20 0.47
EIF2AK3 Q9NZJ5 1/20 0.47
LMNA P02545 1/20 0.47
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46

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
SCHEMBL14021344 0.91 BRAF (0.55) MTORSMG1IKBKBCHUKALDH1A1
SCHEMBL4062111 0.91 IKBKB (0.52) MTORSMG1IKBKBCHUKHTT
SCHEMBL8311025 0.90 HTT (0.58) MTORSMG1IKBKBCHUKHTT
SCHEMBL8312176 0.90 ALDH1A1 (0.60) MTORSMG1IKBKBCHUKHTT
SCHEMBL8311593 0.89 ABL1 (0.53) MTORSMG1IKBKBCHUKALDH1A1
SCHEMBL14071746 0.89 MTOR (0.49) MTORSMG1IKBKBCHUKHTT
SCHEMBL14063812 0.88 MTOR (0.51) MTORSMG1IKBKBCHUKALDH1A1
SCHEMBL8308563 0.88 IKBKB (0.54) MTORSMG1IKBKBCHUKHTT
SCHEMBL14063902 0.86 IKBKB (0.54) MTORSMG1IKBKBCHUKHTT
SCHEMBL14063805 0.86 IKBKB (0.54) MTORSMG1IKBKBCHUKHTT

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