SCHEMBL6965678

SCHEMBL6965678

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)ccc3C2C)c1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
P2RX7 Q99572 1/20 0.38
SCN9A Q15858 9/20 0.38
EPHX2 P34913 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
NPR3 P17342 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
REN P00797 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
SCHEMBL6965676 1.00 PABPC1 (0.41) PABPC1P2RX7SCN9AEPHX2HDAC8
SCHEMBL6967718 0.95 PABPC1 (0.41) PABPC1P2RX7SCN9AEPHX2HDAC8
SCHEMBL6967714 0.95 PABPC1 (0.41) PABPC1P2RX7SCN9AEPHX2HDAC8
SCHEMBL6963911 0.93 KLK7 (0.40) PABPC1P2RX7SCN9ACTSS
SCHEMBL6963909 0.93 KLK7 (0.40) PABPC1P2RX7SCN9ACTSS
SCHEMBL6958594 0.91 KLK7 (0.35) PABPC1P2RX7SCN9AHDAC8
SCHEMBL6968593 0.91 SCN9A (0.33) PABPC1P2RX7SCN9A
SCHEMBL6963915 0.91 SCN9A (0.36) PABPC1P2RX7SCN9A
SCHEMBL6963186 0.90 SCN9A (0.39) PABPC1SCN9ANPR3
SCHEMBL6963190 0.90 SCN9A (0.39) PABPC1SCN9ANPR3

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