SCHEMBL9965425

SCHEMBL9965425

Nc1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.53
PDE7A Q13946 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 4/20 0.46
HSPB1 P04792 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL27637473 0.85 PDE7A (0.72) HPGDL3MBTL1PDE7AMEN1KMT2A
SCHEMBL30392319 0.85 HPGD (0.73) HPGDL3MBTL1PDE7AGAAMEN1
SCHEMBL640965 0.85 HPGD (0.73) HPGDL3MBTL1PDE7AGAAMEN1
SCHEMBL3039145 0.84 HPGD (0.71) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL9266291 0.82 HPGD (1.00) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL3050533 0.82 HPGD (0.69) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL16296141 0.81 LMNA (0.68) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL11757143 0.80 PDE7A (0.78) HPGDPDE7AGAAMEN1KMT2A
SCHEMBL8101216 0.80 HPGD (0.66) HPGDL3MBTL1PDE7AGAAMEN1
SCHEMBL3137542 0.80 HPGD (0.66) HPGDL3MBTL1GAAMEN1KMT2A

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed