SCHEMBL9049388

SCHEMBL9049388

C/C(=N/OCc1ccccc1-n1c(C)nn(C)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 5/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
XPO1 O14980 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9049391 1.00 KMT2A (0.38) KMT2AMEN1PPARGPPARANPC1
SCHEMBL8658637 0.90 PPARG (0.38) KMT2AMEN1PPARGPPARANPC1
SCHEMBL8665322 0.90 PPARG (0.38) KMT2AMEN1PPARGPPARANPC1
SCHEMBL13490744 0.90 KMT2A (0.40) KMT2AMEN1PPARGPPARANPC1
SCHEMBL119998 0.89 KMT2A (0.37) KMT2AMEN1PPARGPPARANPC1
SCHEMBL959562 0.89 KMT2A (0.37) KMT2AMEN1PPARGPPARANPC1
SCHEMBL119997 0.89 KMT2A (0.37) KMT2AMEN1PPARGPPARANPC1
SCHEMBL32678199 0.89 KMT2A (0.37) KMT2AMEN1PPARGPPARANPC1
SCHEMBL29870686 0.89 KMT2A (0.37) KMT2AMEN1PPARGPPARANPC1
SCHEMBL14329161 0.88 ELANE (0.37) KMT2AMEN1PPARGPPARANPC1

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-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed