SCHEMBL5250046

SCHEMBL5250046

O=C(Cl)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
MAPT P10636 4/20 0.78
ALDH1A1 P00352 4/20 0.78
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
KCNH2 Q12809 1/20 0.78
ABCG2 Q9UNQ0 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
BAZ1A Q9NRL2 2/20 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
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
DDX3X O00571 1/20 0.49
PPIA P62937 1/20 0.48

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) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5249571 0.88 MAPT (1.00) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3604286 0.85 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11788000 0.85 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL22492830 0.84 MAPT (0.73) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL22492743 0.83 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11790155 0.82 KMT2A (0.69) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9132692 0.80 NPC1 (0.58) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11802310 0.80 MAPT (0.66) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9400915 0.79 AKR1C3 (0.57) MEN1KMT2AMAPTALDH1A1NPC1

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