SCHEMBL9586205

SCHEMBL9586205

CCCC#Cc1ccccc1S(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.56
CA9 Q16790 8/20 0.56
CA12 O43570 5/20 0.56
ALOX5 P09917 1/20 0.43
TLR8 Q9NR97 1/20 0.43
CA1 P00915 8/20 0.41
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CYP2C9 P11712 3/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL9586802 0.86 CA2 (0.59) CA2CA9CA12ALOX5CA1
SCHEMBL9586062 0.83 CA2 (0.56) CA2CA9CA12ALOX5CA1
SCHEMBL9586368 0.83 CA2 (0.51) CA2CA9CA12ALOX5CA1
SCHEMBL9586669 0.81 CYP2C9 (0.54) CA2CA9CA12ALOX5CA1
SCHEMBL9587434 0.80 CA2 (0.49) CA2CA9CA12ALOX5CA1
SCHEMBL9587082 0.79 CA2 (0.59) CA2CA9CA12ALOX5CA1
SCHEMBL9585642 0.79 CA2 (0.54) CA2CA9CA12ALOX5CA1
SCHEMBL9586733 0.78 CA2 (0.47) CA2CA9CA12ALOX5CA1
SCHEMBL9586213 0.77 CA2 (0.65) CA2CA9CA12ALOX5CA1
SCHEMBL9586142 0.76 CA2 (0.51) CA2CA9CA12ALOX5CA1

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-5248693-A Antiallergens, antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1993-09-28 US disclosed