SCHEMBL5543687

SCHEMBL5543687

O=C=Nc1ccc(Cc2ccc(N=CN(C(=O)Nc3ccc(Cc4ccc(N=C=O)cc4)cc3)c3ccc(Cc4ccc(N=C=O)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.35
SAE1 Q9UBE0 3/20 0.35
UBA2 Q9UBT2 3/20 0.35
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13158577 0.89 TSHR (0.51) TSHRCYP3A4CYP1A2CYP2C9SAE1
SCHEMBL12632812 0.82 TSHR (0.56) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12632737 0.82 TSHR (0.56) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL17525632 0.80 TSHR (0.53) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12632480 0.79 TSHR (0.51) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL13830657 0.77 TSHR (0.49) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL9787713 0.76 TSHR (0.67) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL19996525 0.75 TSHR (0.53) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12604117 0.75 TSHR (0.65) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL15850712 0.74 TSHR (0.62) TSHRCYP3A4CYP1A2SAE1UBA2

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-8168293-B2 Formulations for cellular, foamed-polymer products based on polyvinyl chloride, improved cellular, foamed-polymer products based on polyvinyl chloride and a process for producing said improved cellular foamed-polymer products DIAB INTERNATIONAL AB (SE) 2012-05-01 US disclosed
US-8168293-B2 Formulations for cellular, foamed-polymer products based on polyvinyl chloride, improved cellular, foamed-polymer products based on polyvinyl chloride and a process for producing said improved cellular foamed-polymer products DIAB INTERNATIONAL AB (SE) 2012-05-01 US disclosed
US-20100068487-A1 Formulations for Cellular, Foamed-Polymer Products Based on Polyvinyl Chloride,Improved Cellular, Foamed-Polymer Products Based on Polyvinyl Chloride and a Process for Producing Said Improved Cellular Foamed-Polymer Products DIAB INTERNATIONAL AB (SE) 2010-03-18 US disclosed
US-20100068487-A1 Formulations for Cellular, Foamed-Polymer Products Based on Polyvinyl Chloride,Improved Cellular, Foamed-Polymer Products Based on Polyvinyl Chloride and a Process for Producing Said Improved Cellular Foamed-Polymer Products DIAB INTERNATIONAL AB (SE) 2010-03-18 US disclosed