SCHEMBL9308652

SCHEMBL9308652

CCCc1nc(SC)nc(NN)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
ACHE P22303 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9308512 0.87 PPARG (0.45) PPARGAGTR1AGTR2ACHEHTT
SCHEMBL9308565 0.87 PPARG (0.45) PPARGAGTR1
SCHEMBL9308516 0.86 PPARG (0.44) PPARGAGTR1AGTR2ACHEHTT
SCHEMBL9309532 0.85 PPARG (0.47) PPARGAGTR1AGTR2ACHEHTT
SCHEMBL7308446 0.85 PPARG (0.47) PPARGAGTR1AGTR2ACHE
SCHEMBL9308992 0.82 CYP1A2 (0.45) PPARGACHELMNAALDH1A1CYP1A2
SCHEMBL9308911 0.82 PPARG (0.41) PPARGAGTR1AGTR2ACHESMN1; SMN2
SCHEMBL9309739 0.81 PPARG (0.39) PPARGACHEHTTALDH1A1CYP1A2
SCHEMBL9311390 0.80 AGTR1 (0.39) AGTR1
SCHEMBL7312142 0.78 PPARG (0.46) PPARGAGTR1AGTR2ACHE

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