SCHEMBL7322003

SCHEMBL7322003

CCOC(=O)C(=O)Nc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
KCNMA1 Q12791 1/20 0.54
GPR35 Q9HC97 1/20 0.49
GAA P10253 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NLRP3 Q96P20 1/20 0.45
AKR1B1 P15121 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL11497425 0.86 NLRP3 (0.57) ALDH1A1KMT2AKCNMA1GAATDP1
SCHEMBL7321997 0.85 KCNMA1 (0.58) ALDH1A1KMT2AKCNMA1TDP1L3MBTL1
SCHEMBL13779378 0.84 GPR35 (0.61) ALDH1A1KMT2AGPR35GAAL3MBTL1
SCHEMBL3641699 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AGPR35GAATDP1
SCHEMBL31663206 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AKCNMA1GAATDP1
SCHEMBL11591038 0.79 KCNMA1 (0.65) ALDH1A1KMT2AKCNMA1GAATDP1
SCHEMBL5144247 0.78 KCNMA1 (0.63) ALDH1A1KMT2AKCNMA1TDP1L3MBTL1
SCHEMBL30388557 0.78 KCNMA1 (0.63) ALDH1A1KMT2AKCNMA1TDP1L3MBTL1
SCHEMBL9362749 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AGPR35GAAL3MBTL1
SCHEMBL5973814 0.77 GPR35 (0.55) ALDH1A1KMT2AGPR35GAATDP1

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