SCHEMBL9019607

SCHEMBL9019607

CNC(CSC)C(=O)N[C@H]1CC[C@H](O[N+](=O)[O-])CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
BCHE P06276 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9131101 1.00 LMNA (0.33) LMNAL3MBTL1BCHEKMT2A
SCHEMBL9127158 0.89 ALDH1A1 (0.30)
SCHEMBL9019538 0.89 ALDH1A1 (0.30)
SCHEMBL9019595 0.84 LMNA (0.36) LMNABCHEKMT2A
SCHEMBL9128912 0.84 LMNA (0.36) LMNABCHEKMT2A
SCHEMBL9130221 0.80 L3MBTL1 (0.44) LMNAL3MBTL1
SCHEMBL9019616 0.78 ALDH1A1 (0.37) LMNAL3MBTL1KMT2A
SCHEMBL9127050 0.78 ALDH1A1 (0.37) LMNAL3MBTL1KMT2A
SCHEMBL9127537 0.78 LMNA (0.39) LMNAL3MBTL1
SCHEMBL9127645 0.77 MAPT (0.38) LMNAL3MBTL1BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO disclosed