SCHEMBL9854218

SCHEMBL9854218

CCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C#N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.44
AGTR2 P50052 4/20 0.44
PPARG P37231 2/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8872871 0.86 AGTR2 (0.59) AGTR1AGTR2PPARG
SCHEMBL9854231 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL1891328 0.81 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL8559933 0.80 AGTR2 (0.66) AGTR1AGTR2PPARG
SCHEMBL8958862 0.79 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL1890240 0.79 MAPK14 (0.42) AGTR1AGTR2PPARG
SCHEMBL13341068 0.78 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL2848776 0.78 PPARG (0.41) AGTR1AGTR2PPARG
SCHEMBL4011357 0.77 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9042199 0.77 AGTR1 (0.35) AGTR1AGTR2KDM4EALDH1A1LMNA

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed