SCHEMBL10879461

SCHEMBL10879461

COc1ccc(C(=O)c2c(CO[N+](=O)OCc3c(C(=O)c4ccc(OC)cc4)n(C(C)=O)c(=O)n3C(C)=O)n(C(C)=O)c(=O)n2C(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 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
SCHEMBL10877196 0.91 ALDH1A1 (0.39) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10950427 0.88 ALDH1A1 (0.37) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL10949689 0.87 MAOB (0.34) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10894154 0.84 LMNA (0.43) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10878281 0.83 MAPT (0.44) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10949643 0.81 ALDH1A1 (0.41) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10877790 0.81 MAPT (0.42) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10877149 0.79 TYMP (0.37) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10950412 0.79 ALDH1A1 (0.36) MAPTLMNAMAPK1HPGDMEN1
SCHEMBL10883023 0.78 KMT2A (0.44) MAPTLMNAMAPK1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP claimed
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US claimed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP claimed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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