SCHEMBL8041848

SCHEMBL8041848

CC[C@@H](NC(=O)c1ccc(NCc2ccncc2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MAPK1 P28482 2/20 0.56
PPARG P37231 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HCAR3 P49019 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 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
SCHEMBL4540776 0.93 MAPT (0.63) MAPTMAPK1MEN1KMT2APKM
SCHEMBL8036312 0.90 PPARG (0.54) MAPTMAPK1PPARGMEN1KMT2A
SCHEMBL8034144 0.89 MAPT (0.66) MAPTMAPK1PPARGMEN1KMT2A
SCHEMBL4536613 0.88 MAPT (0.55) MAPTMAPK1MEN1KMT2APKM
SCHEMBL4530973 0.86 PPARG (0.54) MAPTMAPK1PPARGMEN1KMT2A
SCHEMBL8035392 0.85 PPARG (0.53) MAPTMAPK1PPARGMEN1KMT2A
SCHEMBL4534800 0.85 KMT2A (0.67) MAPTMAPK1MEN1KMT2APKM
SCHEMBL8032490 0.84 PPARG (0.55) MAPK1PPARG
SCHEMBL8036319 0.84 MAPT (0.49) MAPTMAPK1MEN1KMT2APKM
SCHEMBL8039661 0.84 MAPT (0.50) MAPTMAPK1PPARGMEN1KMT2A

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed