SCHEMBL30182486

SCHEMBL30182486

CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#Cc2cnccc2OC)c2ncccc12

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.77
SLC16A7 O60669 1/20 0.77
SLC16A8 O95907 1/20 0.77
HTR5A P47898 1/20 0.77
POLB P06746 4/20 0.61
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPL P05186 3/20 0.48
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44

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
SCHEMBL30181890 0.94 SLC16A3 (0.68) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182386 0.91 SLC16A3 (0.64) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182415 0.89 SLC16A3 (0.74) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL22116703 0.87 SLC16A3 (0.89) SLC16A3SLC16A7SLC16A8HTR5APOLB
Msc-4381 SCHEMBL22116621 0.87 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5APOLB
Msc-4381 SCHEMBL31019750 0.87 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30181983 0.86 SLC16A3 (0.71) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL24109639 0.86 SLC16A3 (0.77) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182206 0.85 SLC16A3 (0.65) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30181951 0.84 SLC16A3 (0.55) SLC16A3SLC16A7SLC16A8HTR5APOLB

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
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed