SCHEMBL8020564

SCHEMBL8020564

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cccc(Br)c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
PARP1 P09874 1/20 0.35
LRRK2 Q5S007 2/20 0.35
PPIB P23284 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8020648 0.94 KDM4E (0.38) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL27487707 0.93 KDM4E (0.35) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8033942 0.92 KMT2A (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8036207 0.90 GRM5 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8029983 0.90 SMN1; SMN2 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8034113 0.89 SMN1; SMN2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8020589 0.89 SMN1; SMN2 (0.35) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8030227 0.89 KMT2A (0.39) MAPTSMN1; SMN2KMT2AMEN1PARP1
SCHEMBL8030465 0.88 KMT2A (0.38) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8020628 0.88 KMT2A (0.42) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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