SCHEMBL8243726

SCHEMBL8243726

NC(=O)c1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.58
PLG P00747 3/20 0.58
PPARG P37231 2/20 0.53
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL3192269 0.89 PPARG (0.54) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL13299388 0.88 PPARG (0.56) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL28882432 0.86 HDAC6 (0.64) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL3184013 0.85 PPARG (0.55) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL6085876 0.83 IDO1 (0.50) PLAUPLGPPARGLMNAHDAC8
SCHEMBL13299386 0.83 KCNJ1 (0.53) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL23902646 0.82 NPC1 (0.49) PLAUPLGPPARGNPC1HSP90AA1
SCHEMBL2770283 0.82 HDAC3 (0.51) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL20740753 0.82 NPC1 (0.49) PLAUPLGPPARGNPC1HSP90AA1
SCHEMBL30534841 0.82 NPC1 (0.49) PLAUPLGPPARGNPC1HSP90AA1

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
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO disclosed