SCHEMBL6560790

SCHEMBL6560790

CCS(=O)(=O)NC1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.44
TLR3 O15455 1/20 0.41
AKR1B1 P15121 2/20 0.40
TRPV1 Q8NER1 2/20 0.37
KCNA5 P22460 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL6558641 0.83 TRPV1 (0.39) SIRT2TRPV1KCNA5HTT
SCHEMBL6559479 0.83 ALDH1A1 (0.35) SIRT2TLR3MAPTSMN1; SMN2LMNA
SCHEMBL6559589 0.82 TRPV1 (0.52) TRPV1
SCHEMBL6560806 0.82 KCNA5 (0.44) SIRT2TRPV1KCNA5
SCHEMBL6559382 0.80 MAPT (0.45) SIRT2TRPV1KCNA5MAPTSMN1; SMN2
SCHEMBL6559509 0.80 TRPV1 (0.45) TRPV1KCNA5LMNAALDH1A1KMT2A
SCHEMBL6560445 0.79 KCNA5 (0.44) SIRT2TRPV1KCNA5MEN1KMT2A
SCHEMBL6559192 0.79 TRPV1 (0.37) SIRT2TRPV1KCNA5
SCHEMBL6560799 0.79 HTR2B (0.42) SIRT2TRPV1KCNA5MAPTHTT
SCHEMBL6559918 0.78 TRPV1 (0.38) SIRT2TRPV1KCNA5MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1204134-C Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 2005-06-01 CN disclosed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
CN-1169429-A Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 1998-01-07 CN disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed