SCHEMBL6968925

SCHEMBL6968925

Cc1c(COC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C.c1ccc2c(c1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.34
PABPC1 P11940 1/20 0.34
CACNA1B Q00975 5/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CASP1 P29466 1/20 0.31
CALCRL Q16602 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
SCHEMBL6955844 0.94 SCN9A (0.35) SCN9APABPC1CACNA1BCCNT1CCNA2
SCHEMBL6968920 0.91 KLK7 (0.42) SCN9APABPC1CACNA1BKLK7KLK5
SCHEMBL6961824 0.91 PABPC1 (0.42) SCN9APABPC1
SCHEMBL6961818 0.91 PABPC1 (0.42) SCN9APABPC1
SCHEMBL6955835 0.89 KLK7 (0.41) SCN9APABPC1KLK7KLK5CCNT1
SCHEMBL6955840 0.89 KLK7 (0.41) SCN9APABPC1KLK7KLK5CCNT1
SCHEMBL7688087 0.89 POLB (0.39) SCN9APABPC1CACNA1BKLK7KLK5
SCHEMBL7688088 0.89 POLB (0.39) SCN9APABPC1CACNA1BKLK7KLK5
SCHEMBL6967521 0.88 SCN9A (0.35) SCN9APABPC1
SCHEMBL6967519 0.88 SCN9A (0.35) SCN9APABPC1

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed