SCHEMBL7440158

SCHEMBL7440158

Cc1[nH]c(=O)[nH]c1C(=S)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.45
▸ PDE4B Q07343 7/20 0.45
▸ PDE4C Q08493 7/20 0.45
▸ PDE4D Q08499 7/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TYMP P19971 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL1022074 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7339645 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7442148 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL9786587 0.76 MAPT (0.50) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL7810348 0.68 ACHE (0.62) CYP1A2ALDH1A1MAPTCES2CES1
SCHEMBL9787252 0.67 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10635511 0.66 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL5457930 0.66 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL11181578 0.64 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10924200 0.64 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP1A2

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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