SCHEMBL7083614

SCHEMBL7083614

CSCCC(NC(=O)OC(C)(C)C)C(=O)OCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.34
SCN9A Q15858 5/20 0.33
EPHX2 P34913 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
PABPC1 P11940 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BCL2 P10415 1/20 0.32
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RORC P51449 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
SCHEMBL7083615 1.00 POLB (0.37) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL7688087 0.91 POLB (0.39) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL7688088 0.91 POLB (0.39) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL6961824 0.81 PABPC1 (0.42) SCN9APABPC1KMT2AKDM4EMAPT
SCHEMBL6961818 0.81 PABPC1 (0.42) SCN9APABPC1KMT2AKDM4EMAPT
SCHEMBL6955844 0.81 SCN9A (0.35) SCN9APABPC1
SCHEMBL6968925 0.80 SCN9A (0.34) KLK7KLK5SCN9APABPC1
SCHEMBL6955835 0.80 KLK7 (0.41) KLK7KLK5SCN9ATLR2TLR1
SCHEMBL6955840 0.80 KLK7 (0.41) KLK7KLK5SCN9ATLR2TLR1
SCHEMBL6968920 0.79 KLK7 (0.42) KLK7KLK5SCN9APABPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed