SCHEMBL9130345

SCHEMBL9130345

O=C(CO)NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
BCHE P06276 1/20 0.40
GSR P00390 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ATF4 P18848 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL9125633 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHEGSR
SCHEMBL9795195 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHEGSR
SCHEMBL9127102 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHEGSR
SCHEMBL9019581 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHEGSR
SCHEMBL9019562 0.84 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1SMN1; SMN2BCHEMAPT
SCHEMBL9795527 0.83 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3
SCHEMBL9497980 0.83 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3
SCHEMBL9497857 0.83 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3
SCHEMBL9127883 0.81 KMT2A (0.56) ALDH1A1L3MBTL1SMN1; SMN2BCHETMEM97
SCHEMBL9127645 0.81 MAPT (0.38) ALDH1A1L3MBTL1SMN1; SMN2BCHENPSR1

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