SCHEMBL24842829

SCHEMBL24842829

CCS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.56
CA2 P00918 14/20 0.56
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
PSIP1 O75475 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CA9 Q16790 1/20 0.32

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
SCHEMBL24842830 0.85 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL24842828 0.82 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL13462910 0.82 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL2347469 0.80 CA1 (0.71) CA1CA2MMP1MMP2MMP9
SCHEMBL18426124 0.78 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL12386318 0.76 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL4175368 0.75 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL26075366 0.74 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL25737830 0.74 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL30724286 0.74 CA1 (0.47) CA1CA2MMP1MMP2MMP9

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
US-20230006155-A1 Organic Electronic Device Comprising a Compound of Formula (I), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (I) for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-01-05 US disclosed