SCHEMBL30477299

SCHEMBL30477299

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3cncc4ccccc34)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.42
SDCBP O00560 3/20 0.40
SDC2 P34741 3/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
NTSR1 P30989 2/20 0.39
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
CREBBP Q92793 1/20 0.37
CASP1 P29466 3/20 0.37
ROCK2 O75116 1/20 0.37
NAMPT P43490 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
SCHEMBL25331325 1.00 MAPK1 (0.42) MAPK1SDCBPSDC2CYP11B1CYP11B2
SCHEMBL25330849 0.91 NTSR1 (0.40) MAPK1SDCBPSDC2NTSR1CASP1
SCHEMBL30477293 0.91 NTSR1 (0.40) MAPK1SDCBPSDC2NTSR1CASP1
SCHEMBL30477324 0.91 SDCBP (0.43) MAPK1SDCBPSDC2CASP1
SCHEMBL25333877 0.91 SDCBP (0.43) MAPK1SDCBPSDC2CASP1
SCHEMBL25331706 0.87 SDCBP (0.50) MAPK1SDCBPSDC2
SCHEMBL30477296 0.87 SDCBP (0.50) MAPK1SDCBPSDC2
SCHEMBL25330885 0.87 MAPK1 (0.39) MAPK1SDCBPSDC2NTSR1CASP1
SCHEMBL30477327 0.87 MAPK1 (0.39) MAPK1SDCBPSDC2NTSR1CASP1
SCHEMBL25329776 0.85 SDCBP (0.42) MAPK1SDCBPSDC2CYP11B1CYP11B2

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