SCHEMBL4301183

SCHEMBL4301183

O=C(Nc1cccc(Cl)c1)Nc1ccccc1NC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.82
MEN1 O00255 9/20 0.82
MAPT P10636 6/20 0.82
LMNA P02545 4/20 0.82
HTT P42858 4/20 0.82
ALDH1A1 P00352 2/20 0.82
RAB9A P51151 5/20 0.80
NPC1 O15118 4/20 0.80
KDM4E B2RXH2 3/20 0.77
GAA P10253 1/20 0.73
ALOX15 P16050 1/20 0.73
HSD17B10 Q99714 1/20 0.73
GRIK1 P39086 1/20 0.68
TRPV1 Q8NER1 1/20 0.65
PPIA P62937 1/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
KDR P35968 1/20 0.61

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
SCHEMBL6227431 0.92 MEN1 (0.74) KMT2AMEN1MAPTLMNAHTT
SCHEMBL2682054 0.91 KMT2A (1.00) KMT2AMEN1MAPTLMNAHTT
SCHEMBL1877777 0.90 MEN1 (0.72) KMT2AMEN1MAPTLMNAHTT
SCHEMBL31206219 0.90 MEN1 (0.72) KMT2AMEN1MAPTLMNAHTT
SCHEMBL10344695 0.89 MEN1 (1.00) KMT2AMEN1MAPTLMNAHTT
SCHEMBL29533340 0.89 MEN1 (1.00) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13666033 0.89 MEN1 (0.70) KMT2AMEN1MAPTLMNAHTT
SCHEMBL17079616 0.89 DDX3X (0.79) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6227015 0.89 MEN1 (0.71) KMT2AMEN1MAPTLMNAHTT
SCHEMBL3336175 0.88 KDM4E (1.00) KMT2AMEN1MAPTLMNAHTT

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-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO disclosed