SCHEMBL30477292

SCHEMBL30477292

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3ccc(OC)nc3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.40
SDCBP O00560 2/20 0.39
SDC2 P34741 2/20 0.39
CTSA P10619 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL25332087 1.00 MAPK1 (0.40) MAPK1SDCBPSDC2CTSAKCNH2
SCHEMBL25332002 0.88 MAPK1 (0.41) MAPK1SDCBPSDC2
SCHEMBL30477268 0.88 MAPK1 (0.40) MAPK1SDCBPSDC2
SCHEMBL25330514 0.88 MAPK1 (0.40) MAPK1SDCBPSDC2
SCHEMBL25331706 0.87 SDCBP (0.50) MAPK1SDCBPSDC2
SCHEMBL30477296 0.87 SDCBP (0.50) MAPK1SDCBPSDC2
SCHEMBL31121954 0.86 KCNH2 (0.39) MAPK1SDCBPSDC2CTSAKCNH2
SCHEMBL25329776 0.86 SDCBP (0.42) MAPK1SDCBPSDC2CTSA
SCHEMBL30477286 0.86 SDCBP (0.42) MAPK1SDCBPSDC2CTSA
SCHEMBL25330809 0.86 SDCBP (0.40) MAPK1SDCBPSDC2

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