SCHEMBL8030638

SCHEMBL8030638

CCCN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C)c2)c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
TP53 P04637 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL8033768 0.94 MAPK1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8030236 0.93 MAPK1 (0.48) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8030329 0.92 MAPK1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8033743 0.92 MAPK1 (0.46) MAPK1TP53HTTKMT2AMEN1
SCHEMBL8034026 0.91 MAPK1 (0.47) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8020593 0.90 MAPK1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL9133265 0.90 NPC1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8036317 0.89 MAPK1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8036340 0.89 MAPK1 (0.45) MAPK1TP53CASP1CASP7HSD17B10
SCHEMBL8030435 0.89 MAPK1 (0.49) MAPK1TP53HTTKMT2AMEN1

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