SCHEMBL9308253

SCHEMBL9308253

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9309562 0.87 PPARG (0.33) PPARG
SCHEMBL9310316 0.85 ALDH1A1 (0.31) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL9307715 0.82 PPARG (0.49) PPARG
SCHEMBL9256614 0.80 SLC33A1 (0.34) PPARG
SCHEMBL9256047 0.78 PRKAB2 (0.30)
SCHEMBL9308844 0.76 PPARG (0.45) PPARG
SCHEMBL9256622 0.75 MBOAT4 (0.37)
SCHEMBL9311423 0.75 AGTR1 (0.39)
SCHEMBL9309571 0.73 ESR2 (0.45) PPARG
SCHEMBL9311025 0.71 PPARG (0.49) PPARG

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