SCHEMBL6510045

SCHEMBL6510045

O=C1NC(=O)C(=Cc2ccc(C#CCn3c(Cl)nc4ccccc43)cc2)S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.56
GAA P10253 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
GSK3B P49841 2/20 0.44
MTOR P42345 1/20 0.44
PIM1 P11309 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
PIM3 Q86V86 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CISD1 Q9NZ45 4/20 0.42
HPGD P15428 2/20 0.41
MAOA P21397 2/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6507951 0.83 PIM1 (0.52) MGAMGAASIMGAM2GSK3B
SCHEMBL6532952 0.83 PIM1 (0.52) MGAMGAASIMGAM2GSK3B
SCHEMBL6514234 0.81 LMNA (0.45) NPC1HTTRAB9AHPGDMAOB
SCHEMBL6529790 0.77 MGAM (0.48) MGAMGAASIMGAM2GSK3B
SCHEMBL6529791 0.77 MGAM (0.48) MGAMGAASIMGAM2GSK3B
SCHEMBL6507697 0.73 PIM1 (0.53) PIM1PIM2PIM3CISD1HPGD
SCHEMBL6511842 0.72 PIM1 (0.50) MGAMGAASIMGAM2GSK3B
SCHEMBL6511845 0.72 PIM1 (0.50) MGAMGAASIMGAM2GSK3B
SCHEMBL6514292 0.71 MTOR (0.51) MGAMGAASIMGAM2MTOR
SCHEMBL6514287 0.71 MTOR (0.51) MGAMGAASIMGAM2MTOR

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