SCHEMBL30006444

SCHEMBL30006444

Cn1ncc2cccc(CC(N)=O)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
NAMPT P43490 2/20 0.36
HAO1 Q9UJM8 1/20 0.34
KMO O15229 1/20 0.34
RAD52 P43351 1/20 0.34
ICMT O60725 1/20 0.34
PDE1C Q14123 1/20 0.34
CREBBP Q92793 1/20 0.34
HTT P42858 1/20 0.33
CFD P00746 1/20 0.33
SCN9A Q15858 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL20757767 0.80 TRPC5 (0.42) TRPC5SLC16A3SLC16A1NAMPTCREBBP
SCHEMBL31750096 0.80 SMN1; SMN2 (0.43)
SCHEMBL31038878 0.79 BPTF (0.40) TRPC5SLC16A3SLC16A1NAMPTHTT
SCHEMBL29520631 0.76 PARP1 (0.49)
SCHEMBL22481545 0.76 TRPC5 (0.41) TRPC5SLC16A3SLC16A1NAMPTKMO
SCHEMBL17595754 0.76 TRPC5 (0.39) LGMNTRPC5SLC16A3SLC16A1NAMPT
SCHEMBL6030967 0.75 CMA1 (0.48) ICMTHTT
SCHEMBL20757990 0.73 GABRA1 (0.43) LGMNTRPC5SLC16A3SLC16A1NAMPT
SCHEMBL29520867 0.71 DHODH (0.46) SLC16A3SLC16A1HAO1
SCHEMBL2585360 0.71 DHODH (0.46) SLC16A3SLC16A1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP claimed
WO-2022240277-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) 2022-11-17 WO claimed
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP disclosed
WO-2022240277-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) 2022-11-17 WO disclosed