SCHEMBL4008301

SCHEMBL4008301

C=C(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1c(F)cccc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 15/20 0.60
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX4 Q99571 1/20 0.37

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
SCHEMBL4007714 0.81 PTGES2 (0.60) PTGES2CA12CA1CA2CA9
SCHEMBL4009405 0.81 PTGES2 (0.62) PTGES2CA1CA2
SCHEMBL4012566 0.77 PTGES2 (0.63) PTGES2CA12CA1CA2CA9
SCHEMBL4006541 0.77 PTGES2 (0.63) PTGES2CA12CA1CA2CA9
SCHEMBL3771845 0.75 PTGES2 (1.00) PTGES2CA1CA2
SCHEMBL3771839 0.75 PTGES2 (1.00) PTGES2CA1CA2
SCHEMBL3771842 0.75 PTGES2 (1.00) PTGES2CA1CA2
SCHEMBL4006017 0.72 PTGES2 (0.63) PTGES2CA12CA1CA2CA9
SCHEMBL3774357 0.64 PTGES2 (1.00) PTGES2
SCHEMBL3774354 0.64 PTGES2 (1.00) PTGES2

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-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed