Sugi Predict

Sugi Predict / Compounds / SCHEMBL4534800

SCHEMBL4534800

SCHEMBL4534800

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ PKM P14618 1/20 0.67
▸ MAPT P10636 13/20 0.61
▸ MAPK1 P28482 4/20 0.52
▸ ATM Q13315 2/20 0.49
▸ RXFP1 Q9HBX9 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
SCHEMBL8036315 0.92 MEN1 (0.57) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL8034144 0.91 MAPT (0.66) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL4540776 0.90 MAPT (0.63) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL8035392 0.87 PPARG (0.53) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL4536851 0.87 MAPT (0.54) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL4536613 0.86 MAPT (0.55) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL8041848 0.85 MAPT (0.56) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL8034146 0.85 PPARG (0.57) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL4540765 0.85 MEN1 (0.52) KMT2AMEN1PKMMAPT
SCHEMBL8034331 0.85 PPARG (0.57) KMT2AMEN1PKMMAPTMAPK1

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