SCHEMBL8020637

SCHEMBL8020637

Cc1ccc(C)c(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(C(C)C(=O)O)c3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
CASR P41180 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BDKRB2 P30411 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLYCD O95822 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 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 0.94 KMT2A (0.35) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8031923 0.92 MAPK1 (0.39) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8033754 0.91 KMT2A (0.35) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8030648 0.91 KMT2A (0.36) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8031895 0.91 KMT2A (0.36) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8030179 0.90 KMT2A (0.36) KMT2AMEN1HTTMAPK1NPC1
SCHEMBL8036625 0.88 CASR (0.44) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8032043 0.88 CASR (0.39) KMT2AMEN1HTTMAPK1CASR
SCHEMBL8020758 0.87 KMT2A (0.37) KMT2AMEN1HTTMAPK1LMNA
SCHEMBL8020554 0.87 ALDH1A1 (0.39) KMT2AMEN1HTTMAPK1CASR

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed