SCHEMBL10875778

SCHEMBL10875778

CS(=O)(=O)c1ccc(C(=O)c2[nH]c(=O)[nH]c2CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.48
▸ PDE3A Q14432 3/20 0.48
▸ PDE4A P27815 9/20 0.43
▸ PDE4B Q07343 9/20 0.43
▸ PDE4C Q08493 9/20 0.43
▸ PDE4D Q08499 9/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 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
SCHEMBL10922510 0.87 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10876140 0.84 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877960 0.81 PDE4A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877991 0.80 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877037 0.79 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10880137 0.79 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877917 0.79 HPGD (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10876599 0.77 PDE3B (0.73) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10917744 0.73 TSHR (0.54) PDE3BPDE3ACYP1A2CYP3A4CYP2C9
SCHEMBL4321082 0.71 ENPP2 (0.58) GSR

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 8 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
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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