SCHEMBL13680888

SCHEMBL13680888

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NQO2 P16083 1/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NFKB1 P19838 1/20 0.45
NPY1R P25929 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
DDAH1 O94760 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 8/20 0.42
PKM P14618 6/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL13680873 0.87 ALDH1A1 (0.43) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680875 0.87 ALDH1A1 (0.46) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680870 0.86 KIF11 (0.42) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680880 0.86 TSHR (0.42) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13681004 0.84 ALDH1A1 (0.45) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680894 0.84 SMN1; SMN2 (0.42) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL13680891 0.83 PSMB8 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13680881 0.82 ALDH1A1 (0.48) SMN1; SMN2HTTNQO2MEN1KMT2A
SCHEMBL13681019 0.81 ALDH1A1 (0.36) SMN1; SMN2HTTL3MBTL1NQO2KMT2A
SCHEMBL13681009 0.80 ALDH1A1 (0.46) SMN1; SMN2HTTNQO2MEN1KMT2A

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