SCHEMBL9843787

SCHEMBL9843787

CCCCc1nc(O)c(C)c(=O)n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
PPARG P37231 1/20 0.43
CYP19A1 P11511 1/20 0.43
APLNR P35414 1/20 0.43

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
SCHEMBL9844347 0.89 PPARG (0.56) AGTR1AGTR2PPARGAPLNR
SCHEMBL9843820 0.82 PPARG (0.57) AGTR1PPARGAPLNR
SCHEMBL9844285 0.82 AGTR1 (0.46) AGTR1AGTR2PPARGCYP19A1
SCHEMBL8070879 0.80 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL27376964 0.80 CYP19A1 (0.47) AGTR1AGTR2PPARGCYP19A1APLNR
SCHEMBL9443092 0.80 PPARG (0.68) AGTR1AGTR2PPARG
SCHEMBL9844019 0.80 PPARG (0.43) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL9442994 0.80 PPARG (0.50) AGTR1AGTR2PPARG
SCHEMBL8088552 0.79 PPARG (0.46) AGTR1AGTR2PPARGCYP19A1
SCHEMBL9843828 0.79 PPARG (0.56) AGTR1AGTR2PPARGAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed