SCHEMBL8640970

SCHEMBL8640970

CN(c1ccccn1)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
MALT1 Q9UDY8 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
SLC16A3 O15427 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8638657 0.87 KDM4E (0.42) SMN1; SMN2MAPTKDM4ELMNAMALT1
SCHEMBL8642039 0.86 MALT1 (0.40) SMN1; SMN2MAPTKDM4EMALT1PTGS2
SCHEMBL8643957 0.83 MAPT (0.40) SMN1; SMN2MAPTKDM4ELMNAMALT1
SCHEMBL8637326 0.82 MALT1 (0.39) MAPTMALT1PTGS2PTGDR2ALDH1A1
SCHEMBL8636863 0.80 PTGS2 (0.42) SMN1; SMN2LMNAMALT1PTGS1PTGS2
SCHEMBL8639208 0.79 CA12 (0.43) SMN1; SMN2MALT1PTGS2ALDH1A1GAA
SCHEMBL8641617 0.79 LMNA (0.43) SMN1; SMN2MAPTKDM4ELMNAMALT1
SCHEMBL8639275 0.78 MALT1 (0.44) SMN1; SMN2MAPTLMNAMALT1ALDH1A1
SCHEMBL8420848 0.77 PTGS2 (0.46) KDM4ELMNAMALT1PTGS1PTGS2
SCHEMBL8637161 0.77 MALT1 (0.41) SMN1; SMN2MAPTMALT1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed