SCHEMBL2019323

SCHEMBL2019323

CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
PKM P14618 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HCAR3 P49019 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 5/20 0.57
POLB P06746 2/20 0.57
ALDH3A1 P30838 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 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
SCHEMBL11666941 0.84 LMNA (0.67) LMNAPKMALDH1A1HCAR3KMT2A
SCHEMBL10485197 0.84 PKM (0.65) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL2245974 0.82 ALDH1A1 (0.61) LMNAPKMALDH1A1HCAR3KMT2A
SCHEMBL10485251 0.81 ALDH1A1 (0.67) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL3369999 0.81 KMT2A (0.69) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL5951699 0.81 KMT2A (0.71) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL6286684 0.81 PKM (0.59) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL4689794 0.81 ALDH1A1 (0.59) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL6982251 0.80 KMT2A (0.58) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL31327395 0.80 ALDH1A1 (0.56) LMNAPKMALDH1A1HCAR3KMT2A

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed