SCHEMBL14541222

SCHEMBL14541222

CC(=O)N1N=C(C(C)(C)C)CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ PKM P14618 2/20 0.59
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA4 P22748 1/20 0.54
▸ TERT O14746 3/20 0.53
▸ ACHE P22303 1/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL14541223 0.89 PDE5A (0.62) PDE5AALDH1A1MAPTPKMCA1
SCHEMBL14541221 0.85 PDE5A (0.64) PDE5AALDH1A1MAPTPKMLMNA
SCHEMBL14541148 0.82 PDE5A (0.60) PDE5ACA1CA2CA9CA12
SCHEMBL14540797 0.81 PDE5A (0.60) PDE5A
SCHEMBL12494570 0.78 PDE5A (1.00) PDE5AALDH1A1MAPT
SCHEMBL14541155 0.75 KDM4E (0.79) PKMCA1CA2CA9CA12
SCHEMBL15803412 0.71 ALDH1A1 (0.71) PDE5AALDH1A1MAPT
SCHEMBL25369066 0.71 PDE5A (0.64) PDE5A
SCHEMBL14133644 0.69 CA1 (0.64) ALDH1A1PKMCA1CA2CA9
SCHEMBL6599138 0.69 SLC18A3 (0.47) ALDH1A1MAPTPKMCA1CA2

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
WO-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 — — WO disclosed
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