SCHEMBL8036340

SCHEMBL8036340

CON(C)C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
PRMT3 O60678 1/20 0.41
NPC1 O15118 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8030236 0.94 MAPK1 (0.48) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8034026 0.92 MAPK1 (0.47) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8033743 0.92 MAPK1 (0.46) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8036317 0.91 MAPK1 (0.45) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8030329 0.90 MAPK1 (0.45) MAPK1HTTKMT2AMEN1POLB
SCHEMBL8033768 0.90 MAPK1 (0.45) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8020593 0.90 MAPK1 (0.45) MAPK1PRMT3NPC1HTTRAB9A
SCHEMBL8036051 0.90 MAPK1 (0.56) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL8020599 0.90 MAPK1 (0.46) MAPK1NPC1HTTRAB9AKMT2A
SCHEMBL9133265 0.90 NPC1 (0.45) MAPK1NPC1HTTRAB9AKMT2A

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