SCHEMBL30182415

SCHEMBL30182415

CCOc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnccc2OC)c2ncccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 12/20 0.74
SLC16A7 O60669 1/20 0.61
SLC16A8 O95907 1/20 0.61
HTR5A P47898 1/20 0.61
POLB P06746 4/20 0.54
OPRD1 P41143 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30181983 0.96 SLC16A3 (0.71) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182192 0.94 SLC16A3 (0.69) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182188 0.90 SLC16A3 (0.61) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182486 0.89 SLC16A3 (0.77) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182515 0.88 SLC16A3 (0.60) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182413 0.88 SLC16A3 (0.76) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30182298 0.87 SLC16A3 (0.67) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30181710 0.86 SLC16A3 (0.69) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL30181947 0.86 SLC16A3 (0.66) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL22116679 0.85 SLC16A3 (1.00) 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