SCHEMBL11060842

SCHEMBL11060842

O=C=Nc1c(O)c(N=C=O)c(O)c(N=C=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.30

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
SCHEMBL29068318 0.84 GABRA1 (0.36) GABRA1GABRB2CYP3A4TSHRMAPK1
SCHEMBL30492067 0.73 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL11855962 0.69 GABRA1 (0.50) GABRA1GABRB2CYP3A4TSHRMAPK1
SCHEMBL57779 0.67 CYP3A4 (0.46) GABRA1GABRB2CYP3A4TSHRCASP1
SCHEMBL2835593 0.67 CYP3A4 (0.46) GABRA1GABRB2CYP3A4TSHRCASP1
SCHEMBL1989667 0.67 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL583613 0.67 GABRA1 (0.42) GABRA1GABRB2MAPK1TDP1
SCHEMBL632310 0.65 CYP3A4 (0.56) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL583614 0.65 GABRA1 (0.41) GABRA1GABRB2MAPK1TDP1
SCHEMBL136454 0.65 GABRA1 (0.36) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013033168-A1 POLYACTIC ACID/ALGINATE CONTAINING SURGICAL BARRIER MAST BIOSURGERY AG (CH) 2013-03-07 WO disclosed
US-20130052236-A1 COMPOSITE POLYLACTIC ACID/ALGINATE SURGICAL BARRIER MAST BIOSURGERY (CH) 2013-02-28 US disclosed
US-4446300-A DIELECTRICS, FORMING TRIS/2-HYDROXYETHYL/ISOCYANURATE IN SITU FROM CYANURIC ACID AND ETHYLENE CARBONATE THE P. D. GEORGE COMPANY (US) 1984-05-01 US disclosed