SCHEMBL8030202

SCHEMBL8030202

CN(C(=O)COc1ccccc1N(CCC1CCCC1)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MITF O75030 3/20 0.41
PAX8 Q06710 2/20 0.41
CASR P41180 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLF5 Q13887 1/20 0.41
DAPK1 P53355 1/20 0.38
PIM3 Q86V86 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8030205 0.99 CASR (0.42) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8033869 0.94 BDKRB2 (0.42) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8030003 0.94 BDKRB2 (0.42) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8029962 0.94 CASR (0.48) BDKRB2SMN1; SMN2RAB9ACASRKMT2A
SCHEMBL8020624 0.94 BDKRB2 (0.42) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8029973 0.93 BDKRB2 (0.40) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8020547 0.93 BDKRB2 (0.41) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8030264 0.93 CASR (0.49) BDKRB2SMN1; SMN2RAB9ACASRKMT2A
SCHEMBL8033794 0.93 BDKRB2 (0.42) BDKRB2SMN1; SMN2NPC1RAB9AMITF
SCHEMBL8030420 0.93 BDKRB2 (0.39) BDKRB2SMN1; SMN2NPC1RAB9AMITF

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