SCHEMBL8020538

SCHEMBL8020538

CC(C(=O)O)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
RORC P51449 1/20 0.34
BDKRB2 P30411 8/20 0.34
PARP1 P09874 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CASR P41180 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
SCHEMBL27474438 0.95 ALDH1A1 (0.36) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL27488061 0.92 KMT2A (0.33) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8031966 0.92 BDKRB2 (0.37) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030380 0.91 CASR (0.34) KMT2AMEN1GAARORCBDKRB2
SCHEMBL8033795 0.91 ALDH1A1 (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030124 0.91 CASR (0.43) KMT2AMEN1MAPK1NTSR1HTT
SCHEMBL8030356 0.90 NOTUM (0.36) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030238 0.90 RORC (0.36) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8020962 0.90 CASR (0.37) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030577 0.90 NOTUM (0.36) KMT2AMEN1GAAMAPK1NTSR1

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