SCHEMBL17255336

SCHEMBL17255336

Cc1ccc(S(N)(=O)=O)cc1C1CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.44
NR1H2 P55055 6/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR1H3 Q13133 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 2/20 0.39
HSD11B1 P28845 2/20 0.39
CHRNA7 P36544 1/20 0.38

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
SCHEMBL17255366 0.84 CA2 (0.40) CA12CA1CA2CA9CA14
SCHEMBL21962575 0.83 GPR119 (0.50) GPR119NR1H2NR1H3CA12CA1
SCHEMBL21962692 0.77 GPR119 (0.49) GPR119NR1H2NR1H3CA12CA1
SCHEMBL16409297 0.76 CA2 (0.51) GPR119NR1H2NR1H3CA12CA1
SCHEMBL17782219 0.75 NR1H2 (0.51) GPR119NR1H2NR1H3CA12CA1
SCHEMBL21319501 0.75 NPSR1 (0.52) LMNANPSR1
SCHEMBL13740405 0.75 NPSR1 (0.52) LMNANPSR1MEN1KMT2A
SCHEMBL13740760 0.72 HSP90AA1 (0.62) LMNANPSR1MEN1KMT2AHSD11B1
SCHEMBL25594973 0.71 LMNA (0.48) NR1H2LMNANPSR1
SCHEMBL20170496 0.71 HSP90AA1 (0.56) LMNANPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed