SCHEMBL8196817

SCHEMBL8196817

NS(=O)(=O)c1cccc(CCO)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.61
CA1 P00915 9/20 0.61
CA9 Q16790 7/20 0.61
CA12 O43570 6/20 0.61
CA14 Q9ULX7 5/20 0.61
CA4 P22748 3/20 0.61
CA7 P43166 3/20 0.61
CA6 P23280 2/20 0.61
CA5A P35218 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
HTR6 P50406 1/20 0.49
NOS1 P29475 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL5436203 0.89 CA2 (0.64) CA2CA1CA9CA12CA14
SCHEMBL5277396 0.88 CA2 (0.65) CA2CA1CA9CA12CA14
SCHEMBL185757 0.85 CA2 (0.61) CA2CA1CA9CA12CA14
SCHEMBL31510169 0.83 TSHR (0.50) CA2CA1CA9CA12CA14
SCHEMBL30839505 0.83 HTR6 (0.69) CA2CA1CA9CA12CA14
SCHEMBL3735049 0.83 HTR6 (0.69) CA2CA1CA9CA12CA14
SCHEMBL28802276 0.83 CA1 (0.59) CA2CA1CA9CA12CA14
SCHEMBL23012488 0.81 HTR6 (0.45) CA2CA1CA9CA12CA14
SCHEMBL3997064 0.81 GRM2 (0.48) CA2CA1CA9CA12CA14
SCHEMBL13925829 0.81 CA2 (0.61) CA2CA1CA9CA12CA14

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-6166064-A Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC (US) 2000-12-26 US disclosed