SCHEMBL8891189

SCHEMBL8891189

CCSc1ccc(C(=O)C(C#N)C(=O)C2CC2)c(Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.31
TSHR P16473 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CTSC P53634 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL8891129 0.90 HPGD (0.36) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8900596 0.83 PTPN1 (0.34) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8901366 0.81 SCN1A (0.42) PTPN1PTPN2PTPN6L3MBTL1EGFR
SCHEMBL8899593 0.77 MBTD1 (0.35) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8900220 0.73 HSD11B1 (0.36)
SCHEMBL8892557 0.73 PTPN1 (0.41) PTPN1PTPN2PTPN6FFAR4PTGS2
SCHEMBL8890879 0.73 DPP4 (0.37) TSHRSCN1ASCN2ASCN3A
SCHEMBL8890858 0.70 SLC6A2 (0.36) L3MBTL1
SCHEMBL8726634 0.69 CTSK (0.33)
SCHEMBL8891694 0.69 CCR5 (0.35) PTPN1PTPN2PTPN6MBTD1L3MBTL3

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed