SCHEMBL7498122

SCHEMBL7498122

CCCCc1nc2sccc2c(=O)n1CCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ PDE4A P27815 3/20 0.48
▸ PDE4B Q07343 3/20 0.48
▸ PDE4C Q08493 3/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ TLR7 Q9NYK1 2/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ KAT2B Q92831 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL7090963 0.84 TLR7 (0.47) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7092868 0.82 TLR7 (0.45) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7495037 0.77 LMNA (0.48) LMNAPDE4DALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7494395 0.76 CYP1A2 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4957091 0.76 LMNA (0.53) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL5103773 0.75 PDE4A (0.60) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7493635 0.75 USP2 (0.49) LMNATSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL13180853 0.74 LMNA (0.70) LMNAALDH1A1MAPK1MEN1CYP1A2
SCHEMBL7808088 0.72 PDE5A (0.45) LMNATSHRPTK2BALDH1A1SMN1; SMN2
SCHEMBL231476 0.71 CYP1A2 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015434-B1 NOVEL PYRIMIDIN-4-ONE AND PYRIMIDIN-4-THIONE AS FUNGICIDE SYNGENTA PARTICIPATIONS AG (CH) 2002-04-17 — — EP disclosed
US-6277858-B1 FOR PROTECTION OF PLANTS AGAINST INFESTATION BY PHYTOPATHOGENIC MICROORGANISMS, I.E., FUNGI SYNGENTA CROP PROTECTION, INC. 2001-08-21 — — US disclosed
CN-1270593-A Pyrimidin-4-one and pyrimidin-4-thione as fungicide NOVARTIS AG (CH) 2000-10-18 — — CN disclosed
EP-1015434-A2 NOVEL PYRIMIDIN-4-ONE AND PYRIMIDIN-4-THIONE AS FUNGICIDE Novartis AG (CH) 2000-07-05 — — EP disclosed
WO-1999014202-A2 NOVEL PYRIMIDIN-4-ONE AND PYRIMIDIN-4-THIONE AS FUNGICIDE NOVARTIS AG (CH) 1999-03-25 — — WO disclosed
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