SCHEMBL16296010

SCHEMBL16296010

O=[N+]([O-])c1ccccc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PDE7A Q13946 2/20 0.48
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
ESR2 Q92731 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 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
SCHEMBL17396512 0.89 TSHR (0.59) HPGDGAAMAPK1TSHRALDH1A1
SCHEMBL640965 0.88 HPGD (0.73) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL30392319 0.88 HPGD (0.73) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL28459199 0.86 HPGD (0.71) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL9266291 0.85 HPGD (1.00) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL4912854 0.84 HPGD (0.73) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL3149944 0.84 L3MBTL1 (0.72) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL8091743 0.82 HPGD (0.60) HPGDL3MBTL1GAAMAPK1MEN1
SCHEMBL39472 0.81 HPGD (0.78) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL16295605 0.80 HPGD (0.47) HPGDGAAMAPK1TSHRPDE7A

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-2014199164-A1 DIARYL SUBSTITUTED HETEROAROMATIC COMPOUNDS AMPLA PHARMACEUTICALS, INC. (US) 2014-12-18 WO disclosed