SCHEMBL7436267

SCHEMBL7436267

Cc1cncc(C(=O)c2[nH]c(=O)[nH]c2CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.42
▸ ATM Q13315 1/20 0.39
▸ PDE4A P27815 13/20 0.39
▸ PDE4B Q07343 13/20 0.39
▸ PDE4C Q08493 13/20 0.39
▸ PDE4D Q08499 13/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9787338 0.86 HCAR2 (0.41) PDE3BPDE3AHCAR2ATMSMYD3
SCHEMBL7432992 0.85 PDE3B (0.62) PDE3BPDE3AHCAR2ATMPDE4A
SCHEMBL7446222 0.79 PDE3B (0.72) PDE3BPDE3AATMPDE4APDE4B
SCHEMBL7443821 0.71 PDE3B (0.60) PDE3BPDE3AHCAR2PDE4APDE4B
SCHEMBL7436437 0.67 HPGD (0.44) PDE3BPDE3AHTTRAB9A
SCHEMBL7441965 0.64 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7439917 0.64 PDE4A (0.43) PDE3BPDE3AATMPDE4APDE4B
SCHEMBL7434193 0.64 PDE3B (0.70) PDE3BPDE3AHCAR2PDE4APDE4B
SCHEMBL12599363 0.64 HCAR2 (0.62) HCAR2ATMSMYD3HTTRAB9A
Ammonia Solution, Strong SCHEMBL27341465 0.63 HCAR2 (0.96) HCAR2ATMSMYD3HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 — — US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 — — EP disclosed
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