SCHEMBL9019554

SCHEMBL9019554

CC(=O)NC(CS)C(=O)N[C@H]1CC[C@H](O[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL9130201 1.00 MAPT (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9019616 0.84 ALDH1A1 (0.37) MAPTKDM4EALDH1A1CRHBPCRHR2
SCHEMBL9127050 0.84 ALDH1A1 (0.37) MAPTKDM4EALDH1A1CRHBPCRHR2
SCHEMBL9130221 0.83 L3MBTL1 (0.44) ALDH1A1CRHBPCRHR2L3MBTL1LMNA
SCHEMBL6439317 0.78 BCHE (0.38) KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6439306 0.78 BCHE (0.38) KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9127502 0.78 BCHE (0.33) KMT2A
SCHEMBL9127652 0.77 BCHE (0.35) LMNAKMT2A
SCHEMBL9131101 0.76 LMNA (0.33) L3MBTL1LMNAKMT2A
SCHEMBL9019607 0.76 LMNA (0.33) L3MBTL1LMNAKMT2A

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
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed