SCHEMBL9851425

SCHEMBL9851425

CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.56
AGTR2 P50052 5/20 0.56
PPARG P37231 1/20 0.51
ENPP2 Q13822 1/20 0.49
LMNA P02545 2/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL9851543 0.89 AGTR1 (0.66) AGTR1AGTR2PPARGENPP2LMNA
SCHEMBL9443092 0.86 PPARG (0.68) AGTR1AGTR2PPARG
SCHEMBL8958862 0.85 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL8958752 0.84 CYP19A1 (0.44) AGTR1AGTR2PPARGENPP2LMNA
SCHEMBL9847780 0.83 PPARG (0.56) AGTR1AGTR2PPARGCYP19A1
SCHEMBL27528971 0.83 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL9853637 0.82 PPARG (0.74) AGTR1AGTR2PPARGENPP2LMNA
SCHEMBL9847764 0.82 PPARG (0.55) AGTR1AGTR2PPARGCYP19A1
SCHEMBL9442994 0.82 PPARG (0.50) AGTR1AGTR2PPARG
SCHEMBL9443042 0.81 PPARG (0.49) AGTR1AGTR2PPARG

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-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed