SCHEMBL9879230

SCHEMBL9879230

Cc1oc(-c2ccccc2)nc1C(O)CCc1ccc(C=C2SC(=O)NC2=O)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.40
KCNH2 Q12809 1/20 0.40
GSK3B P49841 3/20 0.39
PPARA Q07869 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TTR P02766 1/20 0.36
PRF1 P14222 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAT1 P18440 1/20 0.35
HPGD P15428 2/20 0.35
GLS O94925 1/20 0.35
GLS2 Q9UI32 1/20 0.35

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
SCHEMBL10480790 0.87 MAPT (0.34) PPARAMEN1KMT2AHPGD
SCHEMBL9721300 0.84 NPC1 (0.41) PIK3CGKCNH2GSK3BPPARATDP1
SCHEMBL9721298 0.84 NPC1 (0.41) PIK3CGKCNH2GSK3BPPARATDP1
SCHEMBL10480774 0.82 MGAM (0.40) PIK3CGKCNH2HPGD
SCHEMBL10365461 0.79 HPGD (0.51) PIM1PIM2HPGD
SCHEMBL10365459 0.79 HPGD (0.51) PIM1PIM2HPGD
SCHEMBL9721205 0.77 HRH3 (0.42) PIK3CGKCNH2PPARATDP1MEN1
SCHEMBL9721203 0.77 HRH3 (0.42) PIK3CGKCNH2PPARATDP1MEN1
SCHEMBL9878492 0.75 KDM4E (0.40) PPARAHPGD
SCHEMBL9721220 0.75 MEN1 (0.41) KCNH2PPARATDP1MEN1KMT2A

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-1991003474-A1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1991-03-21 WO disclosed