SCHEMBL10879000

SCHEMBL10879000

COc1ccc(C(=O)c2c(CBr)n(C)c(=O)n2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL10874528 0.87 ALDH1A1 (0.46) MAPTLMNANPSR1GSK3BMEN1
SCHEMBL10880898 0.82 ALDH1A1 (0.42) MAPTLMNANPSR1MEN1MAPK1
SCHEMBL10949643 0.81 ALDH1A1 (0.41) MAPTLMNANPSR1MEN1MAPK1
SCHEMBL10878281 0.80 MAPT (0.44) MAPTLMNANPSR1GSK3BMEN1
SCHEMBL10949638 0.79 MAPT (0.43) MAPTLMNANPSR1MEN1MAPK1
SCHEMBL10877250 0.79 ALDH1A1 (0.49) MAPTLMNANPSR1MEN1MAPK1
SCHEMBL10877790 0.72 MAPT (0.42) MAPTLMNANPSR1GSK3BMEN1
SCHEMBL5591858 0.72 RAB9A (0.65) MAPTLMNANPSR1GSK3BMEN1
SCHEMBL9418310 0.70 RXFP1 (0.79) MAPTLMNANPSR1GSK3BMEN1
SCHEMBL51509 0.70 RXFP1 (0.79) MAPTLMNANPSR1GSK3BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 — — EP disclosed
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
EP-0064704-B1 4-AMINOMETHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-16 — — EP disclosed
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
US-4381393-A 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1983-04-26 — — US disclosed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
EP-0064704-A1 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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