SCHEMBL11299451

SCHEMBL11299451

Cc1cc(Oc2ccc(Cl)nn2)c(C)cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 14/20 0.42
PTGS2 P35354 13/20 0.42
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.34
PGR P06401 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL11283301 0.84 PTGS1 (0.44) PTGS1PTGS2CA2CA1PGR
SCHEMBL11268431 0.76 PTGS1 (0.46) PTGS1PTGS2CA2PGR
SCHEMBL11295863 0.73 PTPN1 (0.63) PTGS1PTGS2CA2CA1PGR
SCHEMBL11279450 0.72 PTGS1 (0.39) PTGS1PTGS2CA2PGRSLC22A12
SCHEMBL11278728 0.71 CYSLTR2 (0.46) PTGS1PTGS2CA2CA1PGR
SCHEMBL11256682 0.70 KMT2A (0.42)
SCHEMBL5642510 0.66 GAA (0.54) PTGS1PTGS2CA2SLC22A12
SCHEMBL26217685 0.65 CA2 (0.50) PTGS1PTGS2CA2CA1
SCHEMBL10354676 0.65 MEN1 (0.46)
SCHEMBL10495586 0.65 KMT2A (0.46)

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
US-4345076-A Certain herbicidal N-(para-(6-chloro-3-pyridazinyloxy)phenyl)trifluoromethanesulfonamides SHELL OIL COMPANY (US) 1982-08-17 US disclosed