SCHEMBL8900596

SCHEMBL8900596

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

nearest known ligand 0.34

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 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRA P10827 1/20 0.32
SLC6A9 P48067 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 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
SCHEMBL8891189 0.83 PTPN1 (0.34) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8899593 0.78 MBTD1 (0.35) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8892557 0.74 PTPN1 (0.41) PTPN1PTPN2PTPN6FFAR4HPGD
SCHEMBL8891129 0.72 HPGD (0.36) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8891694 0.69 CCR5 (0.35) PTPN1PTPN2PTPN6MBTD1L3MBTL3
SCHEMBL8901745 0.66 KMT2A (0.42) MBTD1L3MBTL3L3MBTL1GAAHPGD
SCHEMBL8901366 0.62 SCN1A (0.42) PTPN1PTPN2PTPN6L3MBTL1SCN1A
SCHEMBL31561622 0.59 HPGD (0.50) HPGD
SCHEMBL7292461 0.58 TSHR (0.47) PTPN1PTPN2PTPN6L3MBTL1SCN1A
SCHEMBL28048457 0.58 HSP90AB1 (0.56) PTPN1PTPN2PTPN6GAA

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