SCHEMBL9846031

SCHEMBL9846031

CCCCc1nc(C)nc(N)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
ACHE P22303 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR8 Q9NR97 2/20 0.40
AGTR1 P30556 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9309290 0.91 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL9308844 0.88 PPARG (0.45) PPARGACHEAGTR1
SCHEMBL9308911 0.87 PPARG (0.41) PPARGACHEHPGDKDM4ENPSR1
SCHEMBL9846018 0.87 ACHE (0.44) PPARGACHEAGTR1
SCHEMBL9846004 0.86 PPARG (0.44) PPARGACHEAGTR1
SCHEMBL9846045 0.86 ACHE (0.43) PPARGACHEHPGDAGTR1
SCHEMBL9846006 0.86 PPARG (0.42) PPARGACHEAGTR1
SCHEMBL9846082 0.85 ACHE (0.42) PPARGACHEAGTR1
SCHEMBL1894428 0.84 PPARG (0.50) PPARGACHEAGTR1
SCHEMBL9846003 0.83 PPARG (0.40) PPARGACHEAGTR1

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed