SCHEMBL9309532

SCHEMBL9309532

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
L3MBTL1 Q9Y468 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
ACHE P22303 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL9311340 0.89 PPARG (0.49) PPARGAGTR1AGTR2ACHE
SCHEMBL7308446 0.88 PPARG (0.47) PPARGAGTR1AGTR2ACHE
SCHEMBL9309819 0.88 PPARG (0.48) PPARGAGTR1AGTR2ACHE
SCHEMBL1894428 0.87 PPARG (0.50) PPARGAGTR1ACHE
SCHEMBL9308652 0.85 PPARG (0.43) PPARGSMN1; SMN2LMNAHTTMAPK1
SCHEMBL9309290 0.81 PPARG (0.46) PPARGAGTR1AGTR2ACHE
SCHEMBL9310919 0.81 PPARG (0.47) PPARGSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL9309747 0.80 PPARG (0.43) PPARG
SCHEMBL9311025 0.76 PPARG (0.49) PPARGAGTR1AGTR2ACHE
SCHEMBL9307715 0.76 PPARG (0.49) PPARGAGTR1AGTR2

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