SCHEMBL4235441

SCHEMBL4235441

O=C1C=CC(=O)N1c1cccc(C2CCc3ccccc32)c1N1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.43
MGLL Q99685 9/20 0.38
ADRA1A P35348 1/20 0.37
SRD5A1 P18405 5/20 0.36
FAAH O00519 1/20 0.36
IDO1 P14902 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL187445 0.72 TLR9 (0.50) TLR9MGLLFAAH
SCHEMBL635306 0.71 TLR9 (0.68) TLR9MGLLFAAH
SCHEMBL9719942 0.69 TLR9 (0.59) TLR9MGLLFAAH
SCHEMBL17049866 0.67 SRD5A1 (0.41) ADRA1ASRD5A1IDO1PDPK1
SCHEMBL6277276 0.66 HSD11B1 (0.46) SRD5A1IDO1PDPK1
SCHEMBL17049860 0.66 SIGMAR1 (0.41) ADRA1ASRD5A1PDPK1
SCHEMBL9495394 0.65 TLR9 (0.53) TLR9MGLLFAAH
SCHEMBL121404 0.65 TLR9 (1.00) TLR9MGLLFAAH
SCHEMBL29377102 0.65 TLR9 (1.00) TLR9MGLLFAAH
SCHEMBL2083374 0.64 PLA2G6 (0.49) ADRA1AFAAHIDO1PDPK1

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
WO-2009019311-A1 RESIN FORMULATION BASED ON BISMALEIMIDE FOR PRODUCING A FILM, PRODUCTION OF A FILM USING THE RESIN FORMULATION AND USE OF THE FILM SIEMENS AKTIENGESELLSCHAFT (DE) 2009-02-12 WO claimed
WO-2009019311-A1 RESIN FORMULATION BASED ON BISMALEIMIDE FOR PRODUCING A FILM, PRODUCTION OF A FILM USING THE RESIN FORMULATION AND USE OF THE FILM SIEMENS AKTIENGESELLSCHAFT (DE) 2009-02-12 WO disclosed