SCHEMBL7319639

SCHEMBL7319639

CCC(=O)C(=O)N(CC1CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7319642 0.85 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL7319626 0.79 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ANPSR1KDM4E
SCHEMBL7328791 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2LMNAPOLB
SCHEMBL7324184 0.75 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL7328061 0.74 TP53 (0.43) ALDH1A1L3MBTL1MAPK1LMNAPOLB
SCHEMBL7331811 0.73 SNCA (0.54) ALDH1A1L3MBTL1SMN1; SMN2LMNAPOLB
SCHEMBL7361622 0.73 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL7327266 0.73 MEN1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL7292395 0.73
SCHEMBL9210396 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AHTTMAPTNPSR1

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
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed