SCHEMBL7804238

SCHEMBL7804238

COc1c(C(=O)CC(C)C)c(=O)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NLRP3 Q96P20 1/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
PADI4 Q9UM07 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL7813594 0.82 KDM4E (0.52) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL7816985 0.81 ALDH1A1 (0.53) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29859446 0.80 KDM4E (0.66) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL9730724 0.80 KDM4E (0.66) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL11389359 0.77 ALDH1A1 (0.63) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9147032 0.76 KDM4E (0.51) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL2384520 0.74 KDM4E (0.53) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL9531872 0.73 KDM4E (0.49) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL4065612 0.73 KDM4E (0.72) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11291425 0.73 KDM4E (0.48) KDM4EKMT2AMEN1SMN1; SMN2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533882-B1 2-QUINOLINONE DERIVATIVES, METHODS FOR PREPARING THE SAME AND FUNGICIDES AND INSECTICIDES INCLUDING THEM KOREA RES INST CHEM TECH (KR) 2001-02-07 EP disclosed
US-5430153-A Insecticides, fungicides KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-04 US disclosed
WO-1992017452-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-15 WO disclosed