SCHEMBL9127883

SCHEMBL9127883

N#CCC(=O)NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 2/20 0.36
CYP3A4 P08684 1/20 0.35
DRD2 P14416 5/20 0.34
HTR2A P28223 5/20 0.34
DRD3 P35462 5/20 0.34
MCL1 Q07820 1/20 0.33
MAPK1 P28482 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9130345 0.81 ALDH1A1 (0.40) KMT2AALDH1A1L3MBTL1BCHESMN1; SMN2
SCHEMBL1963069 0.80
SCHEMBL9125633 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1BCHESMN1; SMN2MAPK1
SCHEMBL9127102 0.80 ALDH1A1 (0.39) KMT2AALDH1A1L3MBTL1BCHESMN1; SMN2
SCHEMBL9019581 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1BCHESMN1; SMN2LMNA
SCHEMBL9795195 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1BCHESMN1; SMN2MAPK1
SCHEMBL9497980 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1
SCHEMBL9497857 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1
SCHEMBL9795527 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1
SCHEMBL9127645 0.77 MAPT (0.38) POLBALDH1A1L3MBTL1BCHESMN1; SMN2

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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed