SCHEMBL5249571

SCHEMBL5249571

NC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KCNH2 Q12809 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 1/20 0.65
AHR P35869 1/20 0.55
ROCK1 Q13464 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.51
BAZ1A Q9NRL2 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
HTT P42858 2/20 0.49
DDX3X O00571 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5250932 0.89 MEN1 (0.80) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5250046 0.88 MEN1 (0.78) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3604286 0.85 KMT2A (0.74) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11788000 0.85 KMT2A (0.74) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL22492830 0.84 MAPT (0.73) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL22492743 0.83 MEN1 (0.71) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6797641 0.82 ALDH1A1 (0.69) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11790155 0.82 KMT2A (0.69) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28282946 0.80 LMNA (0.73) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11802310 0.80 MAPT (0.66) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed