SCHEMBL10733489

SCHEMBL10733489

CS(=O)(=O)c1ccc(-c2[nH]c(Cl)c(Br)c2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 1.00
PTGS1 P23219 2/20 0.51

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
SCHEMBL10738022 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL10739840 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10735196 0.85 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8823417 0.78 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL3248532 0.75 PTGS2 (1.00) PTGS2
SCHEMBL3244795 0.75 PTGS2 (1.00) PTGS2
SCHEMBL10733954 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10737988 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6050633 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6050889 0.73 PTGS2 (0.67) PTGS2PTGS1

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-4652582-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-03-24 US disclosed