SCHEMBL8030003

SCHEMBL8030003

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CCC2CCCC2)C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 7/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MITF O75030 2/20 0.40
PAX8 Q06710 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KLF5 Q13887 1/20 0.40
CASR P41180 2/20 0.39
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
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8020547 0.99 BDKRB2 (0.41) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030202 0.94 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8020853 0.94 CASR (0.45) BDKRB2RAB9ASMN1; SMN2CASRMEN1
SCHEMBL8030290 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030205 0.93 CASR (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030643 0.93 CASR (0.46) BDKRB2RAB9ASMN1; SMN2CASRMEN1
SCHEMBL8034123 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8029973 0.92 BDKRB2 (0.40) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030420 0.91 BDKRB2 (0.39) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8020871 0.90 CNR1 (0.35) BDKRB2CASRMEN1KMT2A

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