SCHEMBL10949643

SCHEMBL10949643

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CA1 P00915 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
SCHEMBL10949638 0.90 MAPT (0.43) ALDH1A1LMNAALOX15NPSR1MAPT
SCHEMBL10874528 0.88 ALDH1A1 (0.46) ALDH1A1LMNAALOX15NPSR1MAPT
SCHEMBL10880898 0.83 ALDH1A1 (0.42) ALDH1A1LMNAALOX15NPSR1MAPT
SCHEMBL10879461 0.81 MAPT (0.38) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL10879000 0.81 MAPT (0.48) ALDH1A1LMNAALOX15NPSR1MAPT
SCHEMBL10877250 0.75 ALDH1A1 (0.49) ALDH1A1LMNAALOX15NPSR1MAPT
SCHEMBL10877196 0.72 ALDH1A1 (0.39) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL10877149 0.72 TYMP (0.37) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL10950776 0.69 PDE3B (0.45) LMNAALOX15NPSR1MAPTMEN1
SCHEMBL11362408 0.69 LMNA (0.45) ALDH1A1LMNAALOX15NPSR1MAPT

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-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 disclosed
Send feedback