SCHEMBL5367066

SCHEMBL5367066

CCOc1cc(C(=O)c2nc(N)c3ccccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 9/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ LMNA P02545 6/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL1931663 0.89 MAPK1 (0.43) MAPK1SMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL1931669 0.88 MAPK1 (0.42) MAPK1RAB9ANPC1GAAMAPT
SCHEMBL1931559 0.77 ALDH1A1 (0.40) MAPK1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL1931390 0.76 ALDH1A1 (0.40) MAPK1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1930915 0.75 ALDH1A1 (0.41) MAPK1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL1930678 0.74 ALDH1A1 (0.40) MAPK1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1935497 0.74 MAPK1 (0.60) MAPK1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1930756 0.74 RORC (0.45) MAPK1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1931173 0.73 ALDH1A1 (0.39) MAPK1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1932041 0.72 RORC (0.41) SMN1; SMN2RAB9ANPC1MAPTALDH1A1

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-1861403-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2007-12-05 — — EP disclosed
WO-2006097625-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2006-09-21 — — WO disclosed
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