SCHEMBL6507599

SCHEMBL6507599

O=C1NC(=O)/C(=C/c2ccc(C#CCN3CCOc4ccccc43)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
HPGD P15428 8/20 0.46
PIM1 P11309 3/20 0.45
PIM3 Q86V86 3/20 0.45
PIM2 Q9P1W9 3/20 0.45
MTOR P42345 1/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NAT1 P18440 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL6507602 1.00 GSK3B (0.48) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6513148 0.84 PIM1 (0.50) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6513150 0.84 PIM1 (0.50) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6504488 0.82 PIM1 (0.47) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6504486 0.82 PIM1 (0.47) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6507569 0.82 PIK3CG (0.49) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6507567 0.82 PIK3CG (0.49) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6529609 0.82 KMT2A (0.43) HPGDPOLB
SCHEMBL6530093 0.81 PIM1 (0.45) HPGDPIM1PIM3PIM2MTOR
SCHEMBL6530095 0.81 PIM1 (0.45) HPGDPIM1PIM3PIM2MTOR

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