SCHEMBL16295397

SCHEMBL16295397

O=[N+]([O-])c1cccnc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
GFER P55789 1/20 0.64
ALDH1A1 P00352 2/20 0.63
S1PR4 O95977 3/20 0.56
PPARG P37231 1/20 0.53
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
JMJD7 P0C870 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL25309429 0.80 KMT2A (0.65) MAPTGFERALDH1A1PPARGGAA
SCHEMBL5797850 0.79 MAPT (0.50) MAPTGFERALDH1A1S1PR4PPARG
SCHEMBL10522426 0.79 ALDH1A1 (0.77) MAPTGFERALDH1A1GAAMEN1
SCHEMBL7023377 0.79 ALDH1A1 (0.56) MAPTGFERALDH1A1PPARGTDP1
SCHEMBL640965 0.79 HPGD (0.73) MAPTALDH1A1S1PR4SLC6A2SLC6A4
SCHEMBL30392319 0.79 HPGD (0.73) MAPTALDH1A1S1PR4SLC6A2SLC6A4
SCHEMBL3654191 0.76 PDE7A (0.63) MAPTALDH1A1S1PR4SLC6A2TDP1
SCHEMBL4007224 0.76 SLC6A2 (0.55) MAPTALDH1A1S1PR4HTR1ASLC6A2
SCHEMBL16294936 0.76 SLC6A2 (0.55) MAPTALDH1A1S1PR4HTR1ASLC6A2
SCHEMBL4965836 0.75 MAPK1 (0.62) MAPTS1PR4SLC6A2TDP1MEN1

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