SCHEMBL30477293

SCHEMBL30477293

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3cccc4cnccc34)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.40
MAPK1 P28482 9/20 0.39
SDCBP O00560 5/20 0.39
SDC2 P34741 5/20 0.39
CHEK1 O14757 1/20 0.36
CASP1 P29466 3/20 0.35
TRPV1 Q8NER1 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
SCHEMBL25330849 1.00 NTSR1 (0.40) NTSR1MAPK1SDCBPSDC2CHEK1
SCHEMBL25330885 0.94 MAPK1 (0.39) NTSR1MAPK1SDCBPSDC2CASP1
SCHEMBL30477327 0.94 MAPK1 (0.39) NTSR1MAPK1SDCBPSDC2CASP1
SCHEMBL30477299 0.91 MAPK1 (0.42) NTSR1MAPK1SDCBPSDC2CASP1
SCHEMBL25331325 0.91 MAPK1 (0.42) NTSR1MAPK1SDCBPSDC2CASP1
SCHEMBL25333877 0.91 SDCBP (0.43) MAPK1SDCBPSDC2CASP1
SCHEMBL30477324 0.91 SDCBP (0.43) MAPK1SDCBPSDC2CASP1
SCHEMBL25329776 0.87 SDCBP (0.42) MAPK1SDCBPSDC2
SCHEMBL30477286 0.87 SDCBP (0.42) MAPK1SDCBPSDC2
SCHEMBL25331331 0.86 SDCBP (0.39) MAPK1SDCBPSDC2CASP1

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