SCHEMBL9647155

SCHEMBL9647155

CC(C)(C)OC(=O)n1c2ccccc2c(=O)n1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ NOX4 Q9NPH5 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ FAAH O00519 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FEN1 P39748 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
SCHEMBL9646352 0.83 NR1H2 (0.40) KMT2AALDH1A1LMNAMEN1PDE4A
SCHEMBL9646337 0.80 PARP1 (0.44) KMT2ALMNAMEN1MAPT
SCHEMBL31667524 0.79 P2RX4 (0.49) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL9645136 0.76 KMT2A (0.55) KMT2ANOX4ALDH1A1SMN1; SMN2LMNA
SCHEMBL30024568 0.72 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5387829 0.72 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL31667699 0.72 POLB (0.48) KMT2AALDH1A1MEN1
SCHEMBL16137947 0.71 MAPT (0.44) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5005428 0.71 MAPT (0.44) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6676703 0.69 MAPT (0.55) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 — — US disclosed
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