SCHEMBL6504488

SCHEMBL6504488

O=C1NC(=O)C(=Cc2ccc(C#CCN3CCc4ccccc43)cc2)S1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.47
PIM2 Q9P1W9 4/20 0.47
PIM3 Q86V86 2/20 0.47
MTOR P42345 1/20 0.44
HPGD P15428 6/20 0.43
MAOA P21397 6/20 0.43
MAOB P27338 6/20 0.43
PTPN1 P18031 2/20 0.43
POLB P06746 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
AKR1B1 P15121 2/20 0.42
PTGS2 P35354 1/20 0.41
IGF1R P08069 1/20 0.41
GSK3B P49841 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6504486 1.00 PIM1 (0.47) PIM1PIM2PIM3MTORHPGD
SCHEMBL6530095 0.83 PIM1 (0.45) PIM1PIM2PIM3MTORHPGD
SCHEMBL6530093 0.83 PIM1 (0.45) PIM1PIM2PIM3MTORHPGD
SCHEMBL6507809 0.83 PIM1 (0.53) PIM1PIM2PIM3HPGDMGAM
SCHEMBL6507599 0.82 GSK3B (0.48) PIM1PIM2PIM3MTORHPGD
SCHEMBL6507602 0.82 GSK3B (0.48) PIM1PIM2PIM3MTORHPGD
SCHEMBL6505495 0.81 ALDH1A1 (0.46) POLBGAARAB9ATDP1
SCHEMBL6511845 0.79 PIM1 (0.50) PIM1PIM2PIM3MTORHPGD
SCHEMBL6511842 0.79 PIM1 (0.50) PIM1PIM2PIM3MTORHPGD
SCHEMBL6532952 0.77 PIM1 (0.52) PIM1PIM2PIM3MTORHPGD

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 disclosed