SCHEMBL20924322

SCHEMBL20924322

CO[n+]1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 6/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL23870663 0.79 ALDH1A1 (0.37) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL20924472 0.77 MAPT (0.39) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL8568031 0.74 TDP1 (0.47) ALDH1A1MAPTLMNATDP1TSHR
SCHEMBL20924283 0.70 MAPK1 (0.46) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL20924363 0.69 MAPT (0.56) ALDH1A1MAPTLMNATDP1TSHR
SCHEMBL20924277 0.69 L3MBTL1 (0.44) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL20924537 0.69 ALDH3A1 (0.49) ALDH1A1MAPTLMNATDP1TSHR
SCHEMBL313815 0.68 MAPT (0.68) ALDH1A1MAPTLMNATDP1TSHR
SCHEMBL31365106 0.68 MAPT (0.68) ALDH1A1MAPTLMNATDP1TSHR
SCHEMBL20924400 0.67 MAPK1 (0.51) ALDH1A1MAPTLMNATDP1MEN1

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-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 EP disclosed