SCHEMBL4536613

SCHEMBL4536613

CC[C@@H](NC(=O)c1ccc(NCc2ccc(C(=O)OC)cc2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.47
KCNK3 O14649 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HCAR3 P49019 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGER4 P35408 1/20 0.46
RAB9A P51151 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 0.92 MAPT (0.63) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8034144 0.90 MAPT (0.66) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8041848 0.88 MAPT (0.56) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL4534800 0.86 KMT2A (0.67) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8035392 0.86 PPARG (0.53) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL4537211 0.85 KCNK3 (0.50) MAPTKCNK3PTGER4RAB9A
SCHEMBL8040491 0.84 PPARG (0.55) MAPTMAPK1KMT2AMEN1ATM
SCHEMBL8036315 0.84 MEN1 (0.57) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8036312 0.84 PPARG (0.54) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8039661 0.83 MAPT (0.50) MAPTMAPK1KMT2AMEN1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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