SCHEMBL4733933

SCHEMBL4733933

NS(=O)(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.61
CA9 Q16790 7/20 0.61
CA1 P00915 7/20 0.61
CA12 O43570 6/20 0.61
PTGS2 P35354 5/20 0.55
PTGS1 P23219 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 2/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
PLA2G7 Q13093 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
LMNA P02545 1/20 0.52
LRRK2 Q5S007 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL30434205 0.98 CA2 (0.64) CA2CA9CA1CA12PTGS2
SCHEMBL2311184 0.93 LRRK2 (0.56) CA2CA9CA1CA12PTGS2
SCHEMBL30221774 0.90 CA12 (0.55) CA2CA9CA1CA12PTGS2
SCHEMBL30269780 0.86 CA2 (0.59) CA2CA9CA1CA12PTGS2
SCHEMBL6794823 0.85 CA1 (0.66) CA2CA9CA1CA12PTGS2
SCHEMBL30301831 0.85 CA12 (0.57) CA2CA9CA1CA12PTGS2
SCHEMBL2309450 0.84 CA2 (0.64) CA2CA9CA1CA12PTGS2
SCHEMBL11045136 0.83 PTGS2 (0.53) CA2CA9CA1CA12PTGS2
SCHEMBL4575215 0.83 CA2 (0.79) CA2CA9CA1CA12PTGS2
SCHEMBL2309051 0.83 CA2 (0.48) CA2CA9CA1CA12PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed
US-6376523-B1 HYPOTENSIVE AGENTS; ANTIINFLAMMATORY AGENTS; ENDOGENOUS VASOCONSTRUCTION PEPTIDE TEXAS BIOTECHNOLOGY CORPORATION 2002-04-23 US disclosed