SCHEMBL8030369

SCHEMBL8030369

CN(C(=O)COc1ccccc1N(CCC1CCCC1)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.40
CASR P41180 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MITF O75030 2/20 0.39
PAX8 Q06710 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KLF5 Q13887 1/20 0.39
EPHX2 P34913 1/20 0.37
CCKBR P32239 1/20 0.37
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8030570 0.99 CASR (0.41) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8034107 0.94 CASR (0.46) BDKRB2CASRRAB9ASMN1; SMN2EPHX2
SCHEMBL8031913 0.93 BDKRB2 (0.41) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8030371 0.93 CASR (0.48) BDKRB2CASRRAB9ASMN1; SMN2EPHX2
SCHEMBL8030154 0.93 BDKRB2 (0.40) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8030202 0.91 BDKRB2 (0.42) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8029973 0.91 BDKRB2 (0.40) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8030205 0.90 CASR (0.42) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8030420 0.90 BDKRB2 (0.39) BDKRB2CASRNPC1RAB9ASMN1; SMN2
SCHEMBL8030306 0.90 CNR1 (0.35) CASRRAB9ACCKBRMEN1KMT2A

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