SCHEMBL6529790

SCHEMBL6529790

O=C1NC(=O)/C(=C/c2ccc(C#CCn3ccc4ccccc43)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.48
GAA P10253 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
PIM3 Q86V86 1/20 0.48
MTOR P42345 3/20 0.47
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
HPGD P15428 3/20 0.44
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.44
GSK3B P49841 1/20 0.43
AKR1B1 P15121 2/20 0.43
PPARG P37231 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6529791 1.00 MGAM (0.48) MGAMGAASIMGAM2PIM1
SCHEMBL6532952 0.82 PIM1 (0.52) MGAMGAASIMGAM2PIM1
SCHEMBL6507951 0.82 PIM1 (0.52) MGAMGAASIMGAM2PIM1
SCHEMBL6510045 0.77 MGAM (0.56) MGAMGAASIMGAM2PIM1
SCHEMBL6514292 0.76 MTOR (0.51) MGAMGAASIMGAM2PIM1
SCHEMBL6514287 0.76 MTOR (0.51) MGAMGAASIMGAM2PIM1
SCHEMBL6511842 0.76 PIM1 (0.50) MGAMGAASIMGAM2PIM1
SCHEMBL6511845 0.76 PIM1 (0.50) MGAMGAASIMGAM2PIM1
SCHEMBL14564277 0.74 PIM1 (0.75) PIM1PIM2PIM3MTORMAOA
SCHEMBL29073167 0.74 CDK4 (0.55) HPGDKMT2A

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