SCHEMBL8637293

SCHEMBL8637293

CCC(Cl)(Cl)c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.41
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
TP53 P04637 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM1A O60341 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
NAT1 P18440 1/20 0.36
KAT6A Q92794 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8640278 0.88 PTGS2 (0.41) MALT1PTGESALOX5TP53PTGS2
SCHEMBL8644122 0.87 MALT1 (0.41) MALT1PTGESALOX5TP53PTGS2
SCHEMBL8643853 0.85 PTGS2 (0.41) MALT1PTGESALOX5PTGS2KDM1A
SCHEMBL8637647 0.85 PTGS2 (0.41) MALT1PTGESALOX5PTGS2KDM1A
SCHEMBL8637675 0.84 PTGS2 (0.43) MALT1PTGS2KDM1ANAT1
SCHEMBL8639795 0.84 PTGS2 (0.50) MALT1PTGS2
SCHEMBL8639013 0.82 PTGS2 (0.41) MALT1PTGESALOX5TP53PTGS2
SCHEMBL8639275 0.81 MALT1 (0.44) MALT1PTGESALOX5KDM1AMEN1
SCHEMBL8637161 0.80 MALT1 (0.41) MALT1PTGESALOX5TP53PTGS2
SCHEMBL8637361 0.80 PTGS2 (0.39) MALT1PTGESALOX5TP53PTGS2

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 5 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
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed