SCHEMBL11229952

SCHEMBL11229952

O=C1NC(=O)c2c1cccc2N1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.50
MGLL Q99685 11/20 0.49
GSK3B P49841 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 2/20 0.41
FAAH O00519 2/20 0.40
CASP7 P55210 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 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
SCHEMBL454828 0.82 POLB (0.51) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL29010702 0.78 CES1 (0.53) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL11240815 0.77 TLR9 (0.39) TLR9MGLLGSK3BALDH1A1PARP1
SCHEMBL19511338 0.77 TLR9 (0.58) TLR9MGLLALDH1A1FAAHMEN1
SCHEMBL28465394 0.76 MEN1 (0.56) TLR9MGLLGSK3BKDM4EALDH1A1
SCHEMBL28883466 0.74 TLR9 (0.54) TLR9MGLLKDM4EALDH1A1HPGD
SCHEMBL30000220 0.74 TLR9 (0.54) TLR9MGLLKDM4EALDH1A1HPGD
SCHEMBL16754925 0.74 GSK3B (0.62) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL11230760 0.73 TLR9 (0.52) TLR9MGLLALDH1A1FAAHNPSR1
SCHEMBL28522247 0.72 MAPT (0.57) TLR9GSK3BKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365068-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
US-4280946-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1981-07-28 US disclosed
US-4219481-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4126619-A CROSSLINKABLE BIS-IMIDYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed