SCHEMBL30477286

SCHEMBL30477286

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3cccnc3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 5/20 0.42
SDC2 P34741 5/20 0.42
MAPK1 P28482 6/20 0.41
MAP3K5 Q99683 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK1A Q13627 1/20 0.36
MMP12 P39900 1/20 0.36
CTSA P10619 1/20 0.36
EGFR P00533 1/20 0.36
CASP3 P42574 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL25329776 1.00 SDCBP (0.42) SDCBPSDC2MAPK1MAP3K5HDAC4
SCHEMBL25331706 0.91 SDCBP (0.50) SDCBPSDC2MAPK1CASP3
SCHEMBL30477296 0.91 SDCBP (0.50) SDCBPSDC2MAPK1CASP3
SCHEMBL30477317 0.87 MET (0.42) SDCBPSDC2MAPK1EGFR
SCHEMBL25332196 0.87 MET (0.42) SDCBPSDC2MAPK1EGFR
SCHEMBL25330885 0.87 MAPK1 (0.39) SDCBPSDC2MAPK1
SCHEMBL30477293 0.87 NTSR1 (0.40) SDCBPSDC2MAPK1
SCHEMBL25330849 0.87 NTSR1 (0.40) SDCBPSDC2MAPK1
SCHEMBL30477327 0.87 MAPK1 (0.39) SDCBPSDC2MAPK1
SCHEMBL25332002 0.87 MAPK1 (0.41) SDCBPSDC2MAPK1

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-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed