SCHEMBL17030281

SCHEMBL17030281

OCCOCCOCCOc1ccc(-c2cnc3ccc(NO)nc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.61
L3MBTL1 Q9Y468 2/20 0.46
PIK3CA P42336 10/20 0.44
MAPK8 P45983 8/20 0.44
MAPK9 P45984 8/20 0.44
MAPK10 P53779 8/20 0.44
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 5/20 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
SCHEMBL17030243 1.00 MAPK1 (0.61) MAPK1L3MBTL1PIK3CAMAPK8MAPK9
SCHEMBL17030289 0.90 MAPK1 (0.60) MAPK1L3MBTL1PIK3CAMAPK8MAPK9
SCHEMBL13083333 0.84 MAPK1 (0.53) MAPK1L3MBTL1PIK3CAMAPK8MAPK9
SCHEMBL12979981 0.81 MAPK1 (0.70) MAPK1L3MBTL1PIK3CAMAPK8MAPK9
SCHEMBL12986982 0.80 MAPK1 (0.52) MAPK1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL17030269 0.79 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12979984 0.79 MAPK1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030254 0.78 MAPK1 (0.46) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030249 0.77 MAPK1 (0.67) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970822 0.77 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10

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-2694067-B1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE TERNA ZENTARIS GMBH (DE) 2015-08-26 EP disclosed