SCHEMBL30947765

SCHEMBL30947765

CC1CN(C)CCN1c1cccc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
OPRM1 P35372 4/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.37
GFER P55789 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CTPS1 P17812 1/20 0.34

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
SCHEMBL3435480 0.80 MAPT (0.48) ALDH1A1SMN1; SMN2PARP1LMNAMAPT
SCHEMBL30947762 0.80 OPRM1 (0.40) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL6571203 0.76 MAPT (0.54) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL24663014 0.74 SIRT6 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL28533396 0.74 SIRT6 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL24662997 0.74 SIRT6 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL30947763 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL5789102 0.73 POLB (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL31729425 0.70 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL28086239 0.70 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTMEN1

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
CN-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed