SCHEMBL9997382

SCHEMBL9997382

COc1ccc(S(=O)(=O)NC2(O)C=CC=CC2C(=O)O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL9997528 0.87 KMT2A (0.48) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL9997385 0.82 POLB (0.41) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL9996879 0.80 KMT2A (0.41) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL9997302 0.74 KAT6A (0.42) KDM4EMAPT
SCHEMBL9997179 0.70 PTK2B (0.34) LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL15880603 0.67 CA1 (0.73) CA12CA9LMNASMN1; SMN2HTT
SCHEMBL6927327 0.66 LMNA (0.69) CA12CA9LMNASMN1; SMN2HTT
SCHEMBL9997441 0.66 FBP1 (0.39)
SCHEMBL4608475 0.65 LMNA (0.67) CA12CA9LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4609744 0.64 LMNA (0.65) CA12CA9LMNASMN1; SMN2HTT

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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed