SCHEMBL8020737

SCHEMBL8020737

CC(C(=O)O)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cccc(Br)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CASR P41180 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
F7 P08709 5/20 0.33
PTGS1 P23219 1/20 0.33
F2 P00734 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
SCHEMBL8036625 0.92 CASR (0.44) ALDH1A1KDM4EKMT2AMEN1CASR
SCHEMBL8031923 0.92 MAPK1 (0.39) L3MBTL1KMT2AMEN1CASRHTT
SCHEMBL8020554 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2AMEN1CASR
SCHEMBL8031895 0.90 KMT2A (0.36) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL8030648 0.90 KMT2A (0.36) ALDH1A1L3MBTL1KMT2AMEN1CASR
SCHEMBL8031928 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1CASR
SCHEMBL8020948 0.90 MLYCD (0.36) L3MBTL1KMT2AMEN1CASRHTT
SCHEMBL8020538 0.89 KMT2A (0.35) KMT2AMEN1CASRHTTSMN1; SMN2
SCHEMBL8031781 0.89 KMT2A (0.35) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL8032043 0.88 CASR (0.39) ALDH1A1KDM4EKMT2AMEN1CASR

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