SCHEMBL9645136

SCHEMBL9645136

CCOC(=O)n1c2ccccc2c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.55
▸ P2RX4 Q99571 1/20 0.50
▸ LMNA P02545 3/20 0.47
▸ AR P10275 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ PRKACG P22612 1/20 0.43
▸ PRKACB P22694 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MITF O75030 1/20 0.41

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
SCHEMBL9645969 0.82 ALDH1A1 (0.43) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9647043 0.80 GAA (0.44) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9670988 0.78 KDM4E (0.47) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9647098 0.76 KDM4E (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1RXFP1
SCHEMBL9466405 0.76 KDM4E (0.46) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9647155 0.76 KMT2A (0.53) KMT2ALMNAPDE4APDE4BPDE4C
SCHEMBL5109666 0.74 L3MBTL1 (0.46) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9647053 0.74 TSHR (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1NPSR1
SCHEMBL9646200 0.73 SMN1; SMN2 (0.42) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9377264 0.73 L3MBTL1 (0.48) KMT2ALMNASMN1; SMN2ALDH1A1MEN1

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
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