SCHEMBL10531978

SCHEMBL10531978

CCN(CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 3/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNH2 Q12809 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL14320020 0.81 HPGD (0.65) ALDH1A1KMT2AL3MBTL1GAAMEN1
SCHEMBL3570124 0.81 LMNA (0.65) ALDH1A1KMT2AL3MBTL1ATMMEN1
SCHEMBL2510372 0.80 KMT2A (0.56) ALDH1A1OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL13209221 0.80 KCNH2 (0.65) ALDH1A1KMT2AGAAATMMEN1
SCHEMBL5582634 0.80 HTT (0.69) ALDH1A1OPRM1OPRD1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9053101 0.80 LMNA (0.66) ALDH1A1KMT2AL3MBTL1ATMMEN1
SCHEMBL15610829 0.79 KMT2A (0.54) ALDH1A1OPRM1OPRD1KMT2AL3MBTL1
SCHEMBL7919379 0.78 POLB (0.76) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL7037787 0.78 LMNA (0.62) ALDH1A1KMT2AL3MBTL1ATMMEN1
SCHEMBL11427337 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1168657-A None JP disclosed
JP-H01168657-A BENZAMIDE DERIVATIVE TEIKOKU CHEM IND CORP LTD 1989-07-04 JP disclosed