SCHEMBL8030236

SCHEMBL8030236

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3ccccc3)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
HTT P42858 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MLYCD O95822 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL8034026 0.98 MAPK1 (0.47) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8033743 0.97 MAPK1 (0.46) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8036317 0.97 MAPK1 (0.45) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8036208 0.95 MEN1 (0.48) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8030428 0.94 MAPK1 (0.43) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8030733 0.94 MEN1 (0.44) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8030567 0.94 MAPK1 (0.43) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8036340 0.94 MAPK1 (0.45) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8033768 0.94 MAPK1 (0.45) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8020593 0.94 MAPK1 (0.45) MAPK1HTTKMT2AMEN1POLB

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