SCHEMBL30477302

SCHEMBL30477302

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3cn[nH]c3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 4/20 0.40
SDC2 P34741 4/20 0.40
MAPK1 P28482 11/20 0.39
CASP3 P42574 2/20 0.35
NAMPT P43490 1/20 0.35
EGFR P00533 1/20 0.35
ROCK2 O75116 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
SCHEMBL25330809 1.00 SDCBP (0.40) SDCBPSDC2MAPK1CASP3NAMPT
SCHEMBL25331706 0.88 SDCBP (0.50) SDCBPSDC2MAPK1CASP3
SCHEMBL30477296 0.88 SDCBP (0.50) SDCBPSDC2MAPK1CASP3
SCHEMBL25329776 0.86 SDCBP (0.42) SDCBPSDC2MAPK1CASP3EGFR
SCHEMBL25330845 0.86 SDCBP (0.41) SDCBPSDC2MAPK1CASP3EGFR
SCHEMBL30477286 0.86 SDCBP (0.42) SDCBPSDC2MAPK1CASP3EGFR
SCHEMBL25332002 0.86 MAPK1 (0.41) SDCBPSDC2MAPK1
SCHEMBL25330087 0.86 SDCBP (0.41) SDCBPSDC2MAPK1CASP3EGFR
SCHEMBL25330712 0.86 SDCBP (0.42) SDCBPSDC2MAPK1
SCHEMBL30477308 0.86 SDCBP (0.42) 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