SCHEMBL26686388

SCHEMBL26686388

Nc1ncccc1-c1ncc(Cc2ccc(OCc3ccccc3)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
PRMT5 O14744 4/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNKS2 Q9H2K2 1/20 0.41
BCHE P06276 2/20 0.41
NPC1 O15118 1/20 0.41
PNP P00491 1/20 0.41
IKBKE Q14164 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL26686219 0.86 AOC3 (0.40) AOC3LTA4HMAPK14PRMT5RAB9A
SCHEMBL1734090 0.83 LTA4H (0.46) LTA4HMAPK14PRMT5MAOBRAB9A
SCHEMBL26686780 0.77 CHRM5 (0.37) AOC3
SCHEMBL30047547 0.76 LTA4H (0.58) LTA4HMAPK14PRMT5MAOBRAB9A
SCHEMBL7603753 0.73 RAB9A (0.50) LTA4HMAPK14MAPK1MAOBRAB9A
SCHEMBL7606984 0.73 GAA (0.51) LTA4HMAPK14MAOBRAB9AGAA
SCHEMBL1733488 0.72 RAB9A (0.51) LTA4HMAPK14MAPK1MAOBRAB9A
SCHEMBL509091 0.72 RAB9A (0.47) LTA4HMAPK14MAOBRAB9AGAA
SCHEMBL509968 0.72 RAB9A (0.44) LTA4HMAPK14MAOBRAB9AGAA
SCHEMBL26686540 0.72 P2RX7 (0.48) LTA4HMAPK14PRMT5MAPK1MAOB

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-4265607-A1 AMINOPYRIDINE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2023-10-25 EP disclosed