SCHEMBL6514148

SCHEMBL6514148

CN(CC#Cc1ccc(C=C2SC(=O)NC2=O)cc1)c1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.68
HDAC4 P56524 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN11 Q06124 2/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PIM3 Q86V86 1/20 0.43
GSK3B P49841 2/20 0.41

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
SCHEMBL6530823 0.85 PPARG (0.59) PPARGHDAC4HDAC8PIM1PIM2
SCHEMBL2177329 0.81 PPARG (1.00) PPARGHDAC4HDAC8PTPN11PIM1
SCHEMBL6506410 0.81 PPARG (0.47) PPARGPIM1PIM2PIM3GSK3B
SCHEMBL6506413 0.81 PPARG (0.47) PPARGPIM1PIM2PIM3GSK3B
SCHEMBL2177332 0.81 PPARG (1.00) PPARGHDAC4HDAC8PTPN11PIM1
SCHEMBL12520491 0.81 PPARG (1.00) PPARGHDAC4HDAC8PTPN11PIM1
SCHEMBL12521900 0.80 PPARG (0.91) PPARGHDAC4HDAC8PTPN11PIM1
SCHEMBL6511223 0.76 PPARG (0.70) PPARG
SCHEMBL12521729 0.74 PPARG (1.00) PPARGHDAC4HDAC8PTPN11PIM1
SCHEMBL12521723 0.73 PPARG (0.78) PPARGHDAC4HDAC8PTPN11PIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed