SCHEMBL15544866

SCHEMBL15544866

[CH2]C(CO)n1cc(Cn2cnc([N+](=O)[O-])c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP19A1 P11511 2/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL15607806 0.88 L3MBTL1 (0.40) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL15545173 0.84 L3MBTL1 (0.37) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367362 0.84 L3MBTL1 (0.37) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367312 0.84 ALDH1A1 (0.39) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL15607817 0.82 L3MBTL1 (0.36) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367295 0.81 ALDH1A1 (0.42) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367422 0.79 ALDH1A1 (0.38) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16342941 0.79 ALDH1A1 (0.38) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367299 0.77 ALDH1A1 (0.39) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16367294 0.77 ALDH1A1 (0.39) L3MBTL1ALDH1A1PKMTAAR1HIF1A

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
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO disclosed