SCHEMBL177001

SCHEMBL177001

CC[Si](CC)(CC)OC(CN(CCO)C(=O)O)c1cccc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
AURKA O14965 3/20 0.35
RPS6KB1 P23443 3/20 0.35
TRPV1 Q8NER1 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FKBP1A P62942 1/20 0.32
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC6A9 P48067 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2240105 0.86 SSTR4 (0.37) CPN1CPB2AURKARPS6KB1TRPV1
SCHEMBL2240112 0.86 SSTR4 (0.37) CPN1CPB2AURKARPS6KB1TRPV1
SCHEMBL177002 0.76 CPN1 (0.38) CPN1CPB2AURKARPS6KB1L3MBTL1
SCHEMBL12348090 0.70 SSTR4 (0.34)
SCHEMBL176708 0.67 GRM2 (0.41) SMN1; SMN2
SCHEMBL12090415 0.67 ALDH1A1 (0.51)
SCHEMBL4732524 0.66 AOC3 (0.47) L3MBTL1SMN1; SMN2
SCHEMBL4732525 0.66 AOC3 (0.47) L3MBTL1SMN1; SMN2
SCHEMBL16824912 0.64 CPN1 (0.43) CPN1CPB2L3MBTL1SMN1; SMN2ADRB2
M-Xylene SCHEMBL28770631 0.63 HPGD (0.46) TRPV1SMN1; SMN2

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