SCHEMBL9645969

SCHEMBL9645969

CCOC(=O)n1c2ccccc2c(=O)n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ HTT P42858 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ FEN1 P39748 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39

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
SCHEMBL9645136 0.82 KMT2A (0.55) ALDH1A1HTTLMNASMN1; SMN2MEN1
SCHEMBL9670988 0.78 KDM4E (0.47) ALDH1A1HTTLMNASMN1; SMN2KDM4E
SCHEMBL11380104 0.75 KDM4E (0.67) ALDH1A1HTTLMNASMN1; SMN2KDM4E
SCHEMBL9466405 0.73 KDM4E (0.46) ALDH1A1HTTLMNASMN1; SMN2KDM4E
SCHEMBL9670940 0.73 L3MBTL1 (0.65) ALDH1A1KDM4EACHEMEN1KMT2A
SCHEMBL9647043 0.73 GAA (0.44) ALDH1A1HTTLMNASMN1; SMN2KDM4E
SCHEMBL9645862 0.72 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL13816435 0.72 ALDH1A1 (0.56) ALDH1A1HTTLMNASMN1; SMN2MEN1
SCHEMBL9647098 0.72 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9647004 0.72 AKR1B1 (0.46) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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-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
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