SCHEMBL9645875

SCHEMBL9645875

CCOC(=O)n1[nH]c(=O)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CACNA1C Q13936 4/20 0.40
CACNA1F O60840 3/20 0.40
CACNA1D Q01668 3/20 0.40
CACNA1S Q13698 3/20 0.40
RAB9A P51151 1/20 0.39
PLA2G2A P14555 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 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
SCHEMBL6924246 0.74 TSHR (0.46) RAB9AALDH1A1MAPTGAALMNA
SCHEMBL1613176 0.74 TDP1 (0.43) CA1CA2ACHEKDM4EALDH1A1
SCHEMBL5113974 0.73 ALDH1A1 (0.48) KDM4ERAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL7249971 0.70 MAPT (0.49) KDM4ECACNA1CRAB9AALDH1A1MAPT
SCHEMBL7204453 0.69 ALDH1A1 (0.60) CA1CA2KDM4EALDH1A1MAPT
SCHEMBL2035595 0.69 ALDH1A1 (0.50) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL10474720 0.67 ALDH1A1 (0.53) KDM4ECACNA1CRAB9AALDH1A1MAPT
SCHEMBL6922293 0.67 MAPT (0.46) KDM4ECACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL2052185 0.67 LMNA (0.43) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL259703 0.67 ALDH1A1 (0.50) RAB9AALDH1A1MAPTSMN1; SMN2LMNA

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed