SCHEMBL8033754

SCHEMBL8033754

Cc1cccc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(C(C)C(=O)O)c3)c2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CASR P41180 1/20 0.34
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
MLYCD O95822 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NTSR1 P30989 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
BDKRB2 P30411 2/20 0.32
F7 P08709 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.32
PPIB P23284 1/20 0.32

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
SCHEMBL8031781 0.96 KMT2A (0.35) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8031895 0.93 KMT2A (0.36) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8020637 0.91 KMT2A (0.36) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8030122 0.91 KMT2A (0.36) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL8032043 0.90 CASR (0.39) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8031923 0.90 MAPK1 (0.39) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8030648 0.90 KMT2A (0.36) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8036625 0.89 CASR (0.44) KMT2AMEN1CASRHTTNPC1
SCHEMBL8020737 0.88 HSD17B10 (0.37) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8020554 0.88 ALDH1A1 (0.39) KMT2AMEN1CASRHTTSMN1; SMN2

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed