SCHEMBL8685704

SCHEMBL8685704

O=C1NC(=O)/C(=C\c2cn(Cc3ccc(OCc4ccccc4)cc3)c3ccccc23)S1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.72
PTPN1 P18031 5/20 0.63
HPGD P15428 4/20 0.63
POLB P06746 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TTR P02766 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL8809748 1.00 PARP1 (0.72) PARP1PTPN1HPGDPOLBMAOA
SCHEMBL1248859 0.90 PARP1 (0.83) PARP1HPGDPOLBKDM4EMEN1
SCHEMBL12891974 0.90 PARP1 (0.83) PARP1HPGDPOLBKDM4EMEN1
SCHEMBL1248861 0.90 PARP1 (0.83) PARP1HPGDPOLBKDM4EMEN1
SCHEMBL8810516 0.89 HPGD (0.61) PARP1PTPN1HPGDPOLBMAOA
SCHEMBL8688092 0.89 HPGD (0.61) PARP1PTPN1HPGDPOLBMAOA
SCHEMBL8809753 0.89 PARP1 (0.56) PARP1PTPN1HPGDPOLBMAOA
SCHEMBL8812776 0.85 PARP1 (0.82) PARP1HPGDPOLBMEN1ALDH1A1
SCHEMBL8688578 0.85 PARP1 (0.82) PARP1HPGDPOLBMEN1ALDH1A1
SCHEMBL8688039 0.84 PARP1 (1.00) PARP1HPGDPOLBMEN1ALDH1A1

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