SCHEMBL7321997

SCHEMBL7321997

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7322003 0.85 ALDH1A1 (0.54) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL11591038 0.83 KCNMA1 (0.65) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL5144247 0.81 KCNMA1 (0.63) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL30388557 0.81 KCNMA1 (0.63) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL11497425 0.81 NLRP3 (0.57) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL5528035 0.80 KCNMA1 (0.62) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL11227724 0.79 KCNMA1 (0.58) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL6653285 0.78 KCNMA1 (0.59) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL14068450 0.77 SMN1; SMN2 (0.51) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR
SCHEMBL1148045 0.76 KCNMA1 (0.54) KCNMA1L3MBTL1TDP1SMN1; SMN2TSHR

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