SCHEMBL8020751

SCHEMBL8020751

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.38
ABL1 P00519 1/20 0.38
HCRTR1 O43613 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8036051 0.90 MAPK1 (0.56) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8020527 0.90 MAPK1 (0.50) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8030236 0.89 MAPK1 (0.48) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8030435 0.89 MAPK1 (0.49) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8020599 0.89 MAPK1 (0.46) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8034026 0.88 MAPK1 (0.47) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8033743 0.87 MAPK1 (0.46) MAPK1HTTMEN1KMT2APOLB
SCHEMBL9133265 0.87 NPC1 (0.45) MAPK1HTTMEN1KMT2ANPC1
SCHEMBL8036317 0.86 MAPK1 (0.45) MAPK1HTTMEN1KMT2APOLB
SCHEMBL8033768 0.85 MAPK1 (0.45) MAPK1HTTMEN1KMT2APOLB

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