SCHEMBL5332467

SCHEMBL5332467

CCCO/N=C(\COc1cc(Oc2ncccn2)cc(C(=O)O)c1)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.42
P2RX3 P56373 8/20 0.40
PLA2G4B P0C869 1/20 0.39
FABP1 P07148 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
NR4A2 P43354 1/20 0.38
KMO O15229 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5332472 1.00 KMT2A (0.42) KMT2AMEN1PPARGP2RX3PLA2G4B
SCHEMBL5311776 0.94 KMT2A (0.46) KMT2AMEN1PLA2G4BFABP1NPC1
SCHEMBL5311769 0.94 KMT2A (0.46) KMT2AMEN1PLA2G4BFABP1NPC1
SCHEMBL14530949 0.82 PLA2G4B (0.48) KMT2APPARGP2RX3PLA2G4BNR4A2
SCHEMBL5312906 0.81 KMT2A (0.59) KMT2APPARGPLA2G4BFABP1NPC1
SCHEMBL5312903 0.81 KMT2A (0.59) KMT2APPARGPLA2G4BFABP1NPC1
SCHEMBL14530963 0.81 KMT2A (0.47) KMT2AMEN1PPARGPLA2G4BFABP1
SCHEMBL5310865 0.78 KMT2A (0.57) KMT2APPARGPLA2G4BFABP1NPC1
SCHEMBL5310869 0.78 KMT2A (0.57) KMT2APPARGPLA2G4BFABP1NPC1
SCHEMBL5313656 0.78 KMT2A (0.44) KMT2APPARGPLA2G4BFABP1NPC1

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed