SCHEMBL13680461

SCHEMBL13680461

CC(=O)Nc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 6/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
NPY1R P25929 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NQO2 P16083 1/20 0.53
MAPK1 P28482 2/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL13680488 0.85 KIF11 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL13680510 0.83 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL13680486 0.83 MAPT (0.52) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680492 0.82 TSHR (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL11806777 0.81 MEN1 (0.63) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL17214835 0.81 NQO2 (0.76) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL11457930 0.80 MEN1 (0.61) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL11806724 0.79 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL3029028 0.79 KDM4E (0.58) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL13680490 0.79 PSMB8 (0.54) MEN1KMT2AALDH1A1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed