SCHEMBL9501072

SCHEMBL9501072

O=C1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1CCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.42
MAPT P10636 7/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL10643664 0.82 SCN2A (0.54) SCN2AMAPTGAAALDH1A1PKM
SCHEMBL9496590 0.80 MEN1 (0.50) MAPTGAAALDH1A1PKMPOLB
SCHEMBL854476 0.71 SIRT6 (0.49) SCN2AMAPTGAAALDH1A1PKM
SCHEMBL9082400 0.70 KMT2A (0.48) MAPTGAAALDH1A1PKMPOLB
SCHEMBL17717923 0.70 MEN1 (0.56) MAPTGAAALDH1A1PKMPOLB
SCHEMBL3422385 0.69 HPN (0.47) SCN2AMAPTGAAALDH1A1MEN1
SCHEMBL2557016 0.69 SCN2A (0.58) SCN2AMAPTGAAALDH1A1PKM
SCHEMBL9478383 0.69 SCN2A (0.54) SCN2AMAPTGAAALDH1A1PKM
SCHEMBL143396 0.68 MAPT (0.61) SCN2AMAPTGAAALDH1A1PKM
SCHEMBL4710512 0.68 LMNA (0.45) MAPTALDH1A1TSHRSIRT6POLB

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-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed