SCHEMBL9309562

SCHEMBL9309562

CCCc1nc(C)nc(Cl)c1Cc1ccc(-c2sccc2C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
AGTR1 P30556 1/20 0.31

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
SCHEMBL9308253 0.87 PPARG (0.31) PPARG
SCHEMBL9310316 0.85 ALDH1A1 (0.31)
SCHEMBL1894428 0.83 PPARG (0.50) PPARGAGTR1
SCHEMBL9309290 0.77 PPARG (0.46) PPARGAGTR1
SCHEMBL9311423 0.75 AGTR1 (0.39) AGTR1
SCHEMBL9256047 0.74 PRKAB2 (0.30)
SCHEMBL9311340 0.73 PPARG (0.49) PPARGAGTR1
SCHEMBL9309819 0.72 PPARG (0.48) PPARGAGTR1
SCHEMBL9256614 0.72 SLC33A1 (0.34) PPARG
SCHEMBL9307715 0.71 PPARG (0.49) PPARGAGTR1

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
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed