SCHEMBL9846006

SCHEMBL9846006

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
ACHE P22303 1/20 0.41
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.38

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 0.87 PPARG (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL9846045 0.86 ACHE (0.43) PPARGACHEAGTR1AGTR2
SCHEMBL9308844 0.86 PPARG (0.45) PPARGACHEAGTR1AGTR2
SCHEMBL9846031 0.86 PPARG (0.43) PPARGACHEAGTR1
SCHEMBL9846018 0.85 ACHE (0.44) PPARGACHEAGTR1AGTR2
SCHEMBL9846004 0.84 PPARG (0.44) PPARGACHEAGTR1
SCHEMBL9308911 0.83 PPARG (0.41) PPARGACHEAGTR1AGTR2
SCHEMBL9846082 0.83 ACHE (0.42) PPARGACHEAGTR1AGTR2
SCHEMBL14245708 0.82 PPARG (0.38) PPARGACHEAGTR1AGTR2
SCHEMBL9846003 0.82 PPARG (0.40) PPARGACHEAGTR1AGTR2

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