SCHEMBL13628849

SCHEMBL13628849

COOSc1ccc2c(c1)cc(-c1nccs1)n2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH3A1 P30838 1/20 0.34
NOD1 Q9Y239 2/20 0.33
NOD2 Q9HC29 1/20 0.33
LMNA P02545 1/20 0.33
ACLY P53396 4/20 0.33
PARG Q86W56 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 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
SCHEMBL2925372 0.83 ALDH3A1 (0.38) GAAHTTL3MBTL1ALDH3A1NOD1
SCHEMBL13628821 0.79 MAPT (0.37) LMNAPARGCYP1A2CYP3A4CYP2D6
SCHEMBL2927942 0.77 HTR6 (0.40) LMNAACLYHTR6SMN1; SMN2
SCHEMBL2928861 0.74 CA12 (0.42) LMNAACLY
SCHEMBL2928345 0.67 PTGS2 (0.56) PARG
SCHEMBL13628854 0.66 MAPT (0.36) LMNAPARGCYP1A2CYP3A4CYP2D6
SCHEMBL13628859 0.64 PTGS2 (0.45) ACLY
SCHEMBL13628862 0.62 CYP1A2 (0.36) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13628847 0.61 CYP11B2 (0.43) ACLYPKM
SCHEMBL17674262 0.59 NTRK1 (0.50) L3MBTL1LMNA

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-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed