SCHEMBL30182413

SCHEMBL30182413

CCOc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cccnc2)c2ncccc12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 16/20 0.76
POLB P06746 2/20 0.55
SLC16A7 O60669 1/20 0.54
SLC16A8 O95907 1/20 0.54
HTR5A P47898 1/20 0.54
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30182042 0.94 SLC16A3 (0.67) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL30182148 0.92 SLC16A3 (0.64) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL30181996 0.91 SLC16A3 (0.75) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL30182182 0.89 SLC16A3 (0.61) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL30181733 0.88 SLC16A3 (0.62) SLC16A3POLB
SCHEMBL30181687 0.88 SLC16A3 (0.60) SLC16A3POLB
SCHEMBL30182415 0.88 SLC16A3 (0.74) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL30181904 0.86 SLC16A3 (0.60) SLC16A3
SCHEMBL30182298 0.86 SLC16A3 (0.67) SLC16A3POLBSLC16A7SLC16A8HTR5A
SCHEMBL22116687 0.86 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5A

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