SCHEMBL5690136

SCHEMBL5690136

CCn1cc(-c2cccc([N+](=O)[O-])c2)cc(C(=O)OOCc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.43
▸ MAPT P10636 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL4870317 0.77 MAPT (0.49) MAPTATMALDH1A1PDE1CHPGD
SCHEMBL10993468 0.67 CNR2 (0.47) CFTRMAPTALDH1A1MEN1KMT2A
SCHEMBL12826413 0.66 TSHR (0.54) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4870467 0.66 SLC6A4 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5688033 0.66 MAPT (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL5435679 0.66 PGR (0.58) CFTRMAPTALDH1A1HPGDMEN1
SCHEMBL28712258 0.65 MEN1 (0.44) MAPTATMALDH1A1PDE1CMEN1
Dinitrophenylene SCHEMBL28012196 0.63 TSHR (0.63) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29526232 0.63 TSHR (0.67) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL2009026 0.63 TSHR (0.67) MAPTALDH1A1POLBMEN1KMT2A

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-1635827-A1 PYRIDINE N-OXIDES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-03-22 — — EP disclosed
WO-2004110442-A1 PYRIDINE N-OXIDES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-12-23 — — WO disclosed
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