SCHEMBL29948706

SCHEMBL29948706

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.60
HSD11B1 P28845 4/20 0.49
VCAM1 P19320 1/20 0.43
SLC22A12 Q96S37 2/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
RAD51 Q06609 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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 1.00 TRPV4 (0.60) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL7532971 0.92 TRPV4 (0.53) TRPV4HSD11B1VCAM1FLT1FLT4
SCHEMBL1942524 0.85 TRPV4 (0.56) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL31461007 0.85 TRPV4 (0.56) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL11871395 0.83 HSD11B1 (0.51) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL20744421 0.83 PTGES2 (0.50) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL12560661 0.83 HSD11B1 (0.51) TRPV4HSD11B1VCAM1SLC22A12FLT1
Hydrochloric Acid SCHEMBL5097125 0.81 HSD11B1 (0.50) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL13277732 0.81 HSD11B1 (0.50) TRPV4HSD11B1VCAM1SLC22A12FLT1
SCHEMBL13277731 0.81 RAD51 (0.58) TRPV4HSD11B1VCAM1SLC22A12FLT1

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
EP-4061124-A1 TRPV4 RECEPTOR LIGANDS University of Utah Research Foundation (US) 2022-09-28 EP disclosed