SCHEMBL26112293

SCHEMBL26112293

NC(=O)OCc1cc2c(s1)C(=O)NCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NNMT P40261 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PRKAA1 Q13131 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PARP10 Q53GL7 7/20 0.31
PARP1 P09874 5/20 0.31
PARP11 Q9NR21 3/20 0.31
NQO1 P15559 1/20 0.31
F7 P08709 1/20 0.31

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
SCHEMBL26123418 0.86 NNMT (0.31) NNMT
SCHEMBL25363053 0.78 CDC7 (0.43) KDM4EPARP10PARP1PARP11NQO1
SCHEMBL26117612 0.74 PARP10 (0.34) USP2ALDH1A1MAPK1HTTTDP1
SCHEMBL26117215 0.73 NOS3 (0.41)
SCHEMBL25361875 0.72 PNMT (0.31)
SCHEMBL32680609 0.70 L3MBTL1 (0.38) ALDH1A1MAPK1KDM4E
SCHEMBL30571590 0.70 L3MBTL1 (0.36) ALDH1A1MAPK1KDM4EDYRK1A
SCHEMBL26119776 0.69
SCHEMBL13361329 0.66 PARP10 (0.46) KDM4EPARP10PARP1PARP11F7
SCHEMBL390545 0.66 PARP10 (0.46) MAPK1KDM4EMAP2K1PARP10PARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed