SCHEMBL177002

SCHEMBL177002

CC[Si](CC)(CC)OCCN(CC(O)c1cccc(N)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
AOC3 Q16853 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BACE1 P56817 3/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2240108 0.86 BACE1 (0.43) CPN1CPB2AOC3L3MBTL1KDM4E
SCHEMBL177001 0.76 CPN1 (0.37) CPN1CPB2L3MBTL1AURKARPS6KB1
SCHEMBL16824912 0.74 CPN1 (0.43) CPN1CPB2AOC3L3MBTL1KDM4E
SCHEMBL21834849 0.67 MEN1 (0.61) KDM4EMEN1KMT2AALOX5ALDH1A1
SCHEMBL6493022 0.67 AOC3 (0.51) CPN1CPB2AOC3L3MBTL1MEN1
SCHEMBL4460226 0.67 ADRB3 (0.45) ADRB3ADRB2ADRB1
SCHEMBL4460219 0.67 ADRB3 (0.45) ADRB3ADRB2ADRB1
SCHEMBL7116379 0.65 KDM4E (0.47) AOC3KDM4EMEN1KMT2AALDH1A1
SCHEMBL7116373 0.65 KDM4E (0.47) AOC3KDM4EMEN1KMT2AALDH1A1
SCHEMBL5466349 0.65 LMNA (0.59) CPN1CPB2AOC3L3MBTL1KDM4E

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-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed