SCHEMBL8423019

SCHEMBL8423019

CS(=O)(=O)c1ccc(-c2cccnc2)c(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.63
PTGS1 P23219 5/20 0.53
CKS1B P61024 1/20 0.44
SKP2 Q13309 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
NAMPT P43490 1/20 0.42
LOX P28300 1/20 0.42

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
SCHEMBL8487954 0.78 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL17205245 0.78 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA9
SCHEMBL4940447 0.78 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7104819 0.77 PTGS2 (0.49) PTGS2PTGS1LOX
SCHEMBL28111372 0.77 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL4941143 0.75 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6050679 0.74 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL6050840 0.74 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL15650181 0.74 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL18876343 0.74 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed