SCHEMBL6933332

SCHEMBL6933332

CC1(C)CC(NS(C)(=O)=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.35
CNR2 P34972 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NTRK1 P04629 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
HTR2C P28335 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL6936636 0.84 TRPV1 (0.38) TRPV1ALDH1A1CNR2CA1CA2
SCHEMBL8310625 0.77 NAE1 (0.38) HTR2C
SCHEMBL7068639 0.77 PSEN1 (0.41) ALDH1A1CNR2
SCHEMBL6935009 0.76 CYP19A1 (0.39) ALDH1A1GAASMN1; SMN2HTR2C
SCHEMBL31231454 0.71 TRPV1 (0.47) TRPV1ALDH1A1CNR2NTRK1
SCHEMBL6935443 0.70 TRPV1 (0.33) TRPV1CNR2HTR2C
SCHEMBL8312069 0.70 NAE1 (0.48)
SCHEMBL6932454 0.70 KCNE1 (0.33) CNR2NTRK1GAASMN1; SMN2HTR2C
SCHEMBL13000696 0.69 OPRM1 (0.40) ALDH1A1
SCHEMBL8191100 0.68 TRPV1 (0.42) TRPV1CNR2NTRK1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915087-B1 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-04-02 EP disclosed
US-6015822-A ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-01-18 US disclosed
EP-0915087-A2 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-12 EP disclosed