SCHEMBL6961824

SCHEMBL6961824

Cc1c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.42
SCN9A Q15858 8/20 0.40
NPR3 P17342 2/20 0.36
P2RX7 Q99572 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACE P12821 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6961818 1.00 PABPC1 (0.42) PABPC1SCN9ANPR3P2RX7CTSS
SCHEMBL6955840 0.93 KLK7 (0.41) PABPC1SCN9ACTSS
SCHEMBL6955835 0.93 KLK7 (0.41) PABPC1SCN9ACTSS
SCHEMBL6968920 0.92 KLK7 (0.42) PABPC1SCN9AP2RX7KDM4EMAPT
SCHEMBL6968925 0.91 SCN9A (0.34) PABPC1SCN9A
SCHEMBL6955844 0.91 SCN9A (0.35) PABPC1SCN9ANPR3
SCHEMBL6962443 0.91 KLK7 (0.35) PABPC1SCN9AACE
SCHEMBL7688087 0.90 POLB (0.39) PABPC1SCN9AKDM4EMAPTKMT2A
SCHEMBL7688088 0.90 POLB (0.39) PABPC1SCN9AKDM4EMAPTKMT2A
SCHEMBL6967519 0.89 SCN9A (0.35) PABPC1SCN9ANPR3KMT2A

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
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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed