SCHEMBL9379554

SCHEMBL9379554

O=C1NC(=O)C(=Cc2ccc(C(=O)CCc3ccccc3)cn2)S1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 16/20 0.54
POLB P06746 2/20 0.46
PTPN1 P18031 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.45
BLM P54132 1/20 0.45
PLA2G1B P04054 1/20 0.45
HTT P42858 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL9379550 1.00 HPGD (0.54) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL9520389 0.81 PPARG (0.41) KDM4E
SCHEMBL9520385 0.81 PPARG (0.41) KDM4E
SCHEMBL9375807 0.80 HPGD (0.62) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL9375804 0.80 HPGD (0.62) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL9372044 0.78 HPGD (0.70) HPGDPIM1PIM3PIM2
SCHEMBL9372040 0.78 HPGD (0.70) HPGDPIM1PIM3PIM2
SCHEMBL9377269 0.76 NPC1 (0.50) HPGDALDH1A1
SCHEMBL19119626 0.70 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL20637539 0.70 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332331-B1 Thiazolidinedione hypoglycemic agents PFIZER (US) 1994-02-09 EP disclosed
US-5223522-A Anticholesterol agents PFIZER INC. (US) 1993-06-29 US disclosed
US-5120754-A Anticholesterol and antidiabetic agents PFIZER INC. (US) 1992-06-09 US disclosed
US-5061717-A ANTICHOLESTEROL AGENTS PFIZER INC. (US) 1991-10-29 US disclosed
WO-1989008650-A1 THIAZOLIDINEDIONE HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 WO disclosed
EP-0332331-A2 Thiazolidinedione hypoglycemic agents PFIZER INC. (US) 1989-09-13 EP disclosed