SCHEMBL12986982

SCHEMBL12986982

OCCOCCOCCOc1ccc(-c2cnc3cccnc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
APP P05067 6/20 0.39
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL13083333 0.82 MAPK1 (0.53) MAPK1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL17030281 0.80 MAPK1 (0.61) MAPK1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL17030243 0.80 MAPK1 (0.61) MAPK1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL17030289 0.79 MAPK1 (0.60) MAPK1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL9908948 0.74 BCHE (0.65) MAPK1NPC1MAPTSMN1; SMN2BCHE
SCHEMBL4613135 0.72 L3MBTL1 (0.61) MAPK1SMN1; SMN2KDM4EL3MBTL1ALDH1A1
SCHEMBL466232 0.72 APP (0.65) MAPK1SMN1; SMN2KDM4EL3MBTL1ALDH1A1
SCHEMBL9908947 0.71 BCHE (0.57) MAPK1NPC1MAPTSMN1; SMN2BCHE
SCHEMBL23143409 0.71 BCHE (0.60) MAPK1NPC1SMN1; SMN2BCHEACHE
SCHEMBL31440926 0.70 ATP4A (0.59) MAPK1NPC1MAPTSMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694067-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE Æterna Zentaris GmbH (DE) 2014-02-12 EP disclosed
WO-2012136691-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed