SCHEMBL4755722

SCHEMBL4755722

NS(=O)(=O)N(F)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.64
CA1 P00915 6/20 0.48
CA9 Q16790 5/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 2/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
FAAH O00519 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
PRSS3 P35030 1/20 0.43
AOC3 Q16853 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
KCNA5 P22460 1/20 0.41
SERPINE1 P05121 1/20 0.41

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
SCHEMBL1792267 0.78 CA2 (1.00) CA2CA1CA9CA5ACA7
SCHEMBL784785 0.78 APOBEC3G (0.57) CA2ALDH1A1
SCHEMBL3073398 0.77 CA2 (0.67) CA2CA1CA9CA5ACA7
SCHEMBL1243447 0.75 CA2 (0.64) CA2CA1CA9CA5ACA12
SCHEMBL27701625 0.73 CA2 (0.62) CA2CA1CA9CA5ATSHR
SCHEMBL4273616 0.73 CA2 (0.62) CA2CA1CA9CA5ACA7
SCHEMBL24391645 0.72 TSHR (0.66) CA2CA1CA9CA5AAOC3
SCHEMBL28274495 0.70 AOC3 (0.58) CA2AOC3TSHRALDH1A1
SCHEMBL7814373 0.69 ALDH1A1 (0.55) CA2CA9CA12AOC3TSHR
SCHEMBL422733 0.69 ALDH1A1 (0.55) CA2CA9CA12AOC3TSHR

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
WO-2008153433-A1 MONOCLONAL ANTIBODIES FOR DETECTION OF MULLERIAN INHIBITING SUBSTANCE AND USES THEREOF STATE RESEARCH INSTITUTE OF HIGHLY PURE BIOPREPARATIONS (SRIHPB) (RU) 2008-12-18 WO disclosed