SCHEMBL7532971

SCHEMBL7532971

N#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1.N#Cc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 11/20 0.53
HSD11B1 P28845 4/20 0.50
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
VCAM1 P19320 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RAD51 Q06609 1/20 0.40
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1020883 0.92 TRPV4 (0.60) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL29948706 0.92 TRPV4 (0.60) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL61854 0.82 CA1 (0.55) TRPV4CA12CA1CA2CA9
SCHEMBL13277731 0.78 RAD51 (0.58) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL1942524 0.78 TRPV4 (0.56) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL31461007 0.78 TRPV4 (0.56) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL4377093 0.77 CA12 (0.66) HSD11B1CA12CA1CA2CA9
SCHEMBL11427098 0.77 TRPV4 (0.55) TRPV4HSD11B1CA12CA1CA2
SCHEMBL20744421 0.76 PTGES2 (0.50) TRPV4HSD11B1FLT1FLT4KDR
SCHEMBL11871395 0.76 HSD11B1 (0.51) TRPV4HSD11B1FLT1FLT4KDR

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed