SCHEMBL8685673

SCHEMBL8685673

O=C1NC(=O)C(=Cc2ccc3c(ccn3CCc3ccccc3)c2)S1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.53
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
PTPN1 P18031 3/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8685670 1.00 HPGD (0.53) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8685641 0.91 HPGD (0.53) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8685637 0.91 HPGD (0.53) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8690599 0.89 NPC1 (0.54) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8690603 0.89 NPC1 (0.54) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8685678 0.87 KDM4C (0.42) HPGD
SCHEMBL14406530 0.81 PIM1 (0.49) HPGDPIM1PIM3PIM2MAOA
SCHEMBL8685065 0.80 PIM1 (0.53) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8685061 0.80 PIM1 (0.53) HPGDPIM1PIM3PIM2PTPN1
SCHEMBL8685615 0.78 PARP1 (0.56) HPGDPOLBMEN1KMT2A

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed