SCHEMBL8020648

SCHEMBL8020648

CN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
PARP1 P09874 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PDE5A O76074 1/20 0.36
MAPK1 P28482 2/20 0.36
PPIB P23284 1/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPSE Q9Y251 1/20 0.35
MLYCD O95822 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8020564 0.94 KDM4E (0.37) KDM4EALDH1A1L3MBTL1SMN1; SMN2PARP1
SCHEMBL8020628 0.92 KMT2A (0.42) KDM4EALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL8031875 0.92 MAPK1 (0.40) SMN1; SMN2PDE5AMAPK1HTTKMT2A
SCHEMBL27487707 0.91 KDM4E (0.35) KDM4EALDH1A1L3MBTL1SMN1; SMN2PARP1
SCHEMBL8020901 0.90 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2PDE5AMAPK1PPIB
SCHEMBL8031868 0.90 PPIB (0.38) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8033859 0.89 SMN1; SMN2 (0.44) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8020574 0.89 PTGDR2 (0.38) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8030212 0.89 KMT2A (0.40) SMN1; SMN2PARP1LRRK2MAPK1PPIB
SCHEMBL8020736 0.89 ITGB1 (0.36) KDM4ESMN1; SMN2PDE5AMAPK1PPIB

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