SCHEMBL17758261

SCHEMBL17758261

[Na].c1ccc2c(c1)NCCN2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 2/20 0.46
KDM1A O60341 1/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.35
ALOX12 P18054 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
MPI P34949 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 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
SCHEMBL29408147 0.97 GAA (0.54) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL123812 0.97 GAA (0.54) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL29144954 0.97 GAA (0.54) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL17758260 0.93 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
Ammonia Solution, Strong SCHEMBL28409962 0.93 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL7829799 0.93 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL8200265 0.88 MEN1 (0.48) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL13495065 0.88 MEN1 (0.48) GAAMEN1KMT2AMAPTKDM4E
Pyrazine SCHEMBL26933885 0.85 GAA (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL4495411 0.84 GAA (0.44) GAAMEN1KMT2AMAPTKDM4E

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
US-9346798-B2 Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors AMGEN INC. (US) 2016-05-24 US disclosed