SCHEMBL10878352

SCHEMBL10878352

CCCCOCc1[nH]c(=O)[nH]c1C(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
LMNA P02545 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL7434193 0.82 PDE3B (0.70) PDE3BPDE3ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10950631 0.77 PDE3B (0.44) PDE3BPDE3ATSHRSMN1; SMN2HDAC3
SCHEMBL10874712 0.73 PDE3B (0.52) PDE3BPDE3ACYP1A2CYP2C9TSHR
SCHEMBL10502071 0.71 ALDH1A1 (0.47) PDE3BPDE3ALMNAMAPTNPC1
Nicoboxil SCHEMBL288321 0.70 L3MBTL1 (0.84) L3MBTL1LMNACYP1A2CYP2C9TSHR
Nicoboxil SCHEMBL29475326 0.70 L3MBTL1 (0.84) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL10501352 0.70 PRKAB2 (0.44) CDK2PDE3BPDE3ALMNACYP1A2
SCHEMBL10864124 0.70 PDE3B (0.74) PDE3BPDE3ACYP1A2CYP2C9TSHR
SCHEMBL551716 0.69 L3MBTL1 (1.00) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL10876292 0.68 PDE3B (0.72) PDE3BPDE3ALMNACYP1A2CYP2C9

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 3 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 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
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 EP disclosed