SCHEMBL6514287

SCHEMBL6514287

Cc1cn(CC#Cc2ccc(/C=C3/SC(=O)NC3=O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
PIM3 Q86V86 1/20 0.46
PTGS2 P35354 2/20 0.45
HPGD P15428 6/20 0.44
PTPN1 P18031 2/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
POLB P06746 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PPARG P37231 1/20 0.42
AKR1B1 P15121 1/20 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
SCHEMBL6514292 1.00 MTOR (0.51) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6529790 0.76 MGAM (0.48) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6529791 0.76 MGAM (0.48) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6508025 0.76 PPARG (0.46) PPARG
SCHEMBL6507951 0.73 PIM1 (0.52) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6532952 0.73 PIM1 (0.52) MTORPIM1PIM2PIM3PTGS2
SCHEMBL14564277 0.73 PIM1 (0.75) MTORPIM1PIM2PIM3HPGD
SCHEMBL6511842 0.72 PIM1 (0.50) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6511845 0.72 PIM1 (0.50) MTORPIM1PIM2PIM3PTGS2
SCHEMBL6510045 0.71 MGAM (0.56) MTORPIM1PIM2PIM3HPGD

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