SCHEMBL9003487

SCHEMBL9003487

O=C(OO)N(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
TAS2R14 Q9NYV8 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA2 P00918 1/20 0.42
PTGES O14684 2/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNA5 P22460 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4419871 0.73 CA2 (0.54) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL4273616 0.71 CA2 (0.62) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL22282688 0.71 HSD11B1 (0.53) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL10350488 0.70 CA2 (0.51) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL8622005 0.69 ALOX5 (0.46) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL7707821 0.69 AKT1 (0.48) HSD11B1CA12
Ethane SCHEMBL23927829 0.68 CA2 (0.59) TAS2R14MEN1KMT2ACA2NPC1
SCHEMBL5655809 0.68 ALDH1A1 (0.52) MEN1KMT2ACA2NPC1RAB9A
SCHEMBL22690199 0.68 ALDH1A1 (0.41) HSD11B1TAS2R14MEN1KMT2ACA2
SCHEMBL6421016 0.68 CA2 (0.53) TAS2R14MEN1KMT2ACA2MAPT

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-5571378-A REMOVING TRANSITION METALS FROM KRAFT PULP HAMPSHIRE CHEMICAL LTD. (GB) 1996-11-05 US claimed