SCHEMBL2669945

SCHEMBL2669945

COc1ccc2oc(C(CCCCS(C)(=O)=O)Nc3ccc(C(=O)N(C)CCC=O)cc3)c(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
MITF O75030 1/20 0.34
MEN1 O00255 3/20 0.33
HIF1A Q16665 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL720182 0.92 KMT2A (0.42) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL2669827 0.91 KMT2A (0.42) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL3398050 0.89 KMT2A (0.41) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL719521 0.83 KMT2A (0.37) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL9070787 0.83 KMT2A (0.46) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL718234 0.82 NPC1 (0.45) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL717989 0.82 KMT2A (0.43) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL718793 0.80 KMT2A (0.42) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL720030 0.80 KMT2A (0.43) KMT2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL720118 0.79 KMT2A (0.43) KMT2ANPC1RAB9AL3MBTL1KDM4E

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed