SCHEMBL16808302

SCHEMBL16808302

CN/C(=N/C(=O)OC(C)(C)C)c1ccc(OCCCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
PLK1 P53350 2/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.36
PPARA Q07869 1/20 0.36
HTT P42858 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
SCHEMBL16808237 0.85 CA12 (0.39) L3MBTL1GAAPLK1CA12CA1
SCHEMBL16808322 0.79 CA12 (0.47) GAACA12CA1CA2CA9
SCHEMBL16808256 0.78 ELANE (0.59) PLK1CA2MAPTTSHRHTT
SCHEMBL7975312 0.77 MAPT (0.47) GAACA1CA2MAPTTP53
SCHEMBL16808280 0.77 MIF (0.42) CA12CA1CA2CA9MAPT
SCHEMBL7975315 0.77 MAPT (0.47) GAACA1CA2MAPTTP53
SCHEMBL11032267 0.76 GAA (0.54) L3MBTL1GAACA12CA1CA2
SCHEMBL16808320 0.74 CA12 (0.47) L3MBTL1GAACA12CA1CA2
SCHEMBL7986483 0.74 CA1 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL7986484 0.74 CA1 (0.46) CA12CA1CA2CA9MAPT

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
WO-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 WO disclosed