SCHEMBL9693477

SCHEMBL9693477

CC(=O)Nc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 4/20 0.47
ALDH3A1 P30838 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL8068098 0.88 HTT (0.62) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL28229859 0.87 HTT (0.57) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL9693982 0.84 MAPT (0.52) SMN1; SMN2LMNAKMT2AMEN1POLB
SCHEMBL9693251 0.84 ALDH1A1 (0.62) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL11526803 0.82 HTT (0.71) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL17395911 0.81 ALDH1A1 (0.47) HTTLMNAKMT2APOLBMAPT
SCHEMBL29952677 0.80 HTT (0.60) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL358355 0.80 HTT (0.63) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL18775437 0.80 MAPK1 (0.49) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL10790188 0.80 HTT (0.68) HTTSMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed