SCHEMBL5229504

SCHEMBL5229504

NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 1/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL28788231 0.75 CA1 (0.45) CA1CA2CA4CA9KMT2A
SCHEMBL29720703 0.73 CA2 (0.43) CA1CA2CA4CA9KMT2A
SCHEMBL29720620 0.70 F10 (0.41) CA1CA2CA4CA9GAA
SCHEMBL6199459 0.70 F10 (0.57) F10F2
Hydrochloric Acid SCHEMBL6196801 0.70 F10 (0.59) F10F2
SCHEMBL752706 0.68 LMNA (0.68) KMT2ALMNAGAASMN1; SMN2ALDH1A1
SCHEMBL3713826 0.68 SMO (0.52) CA1CA2CA4CA9KMT2A
SCHEMBL3715156 0.68 SMO (0.52) CA1CA2CA4CA9KMT2A
SCHEMBL11948542 0.67 CA1 (0.51) CA1CA2CA4CA9HTT
SCHEMBL26673632 0.67 MAPT (0.53) KMT2ALMNAGAAMAPTALDH1A1

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
EP-1200824-B1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARMA INC (US) 2007-04-25 EP disclosed
US-7138526-B1 Solid phase synthesis of n,n-disubstituted diazacycloalkylcarboxy derivatives AVENTIS PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
EP-1200824-A4 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARM PROD INC (US) 2003-03-12 EP disclosed
EP-1200824-A1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2002-05-02 EP disclosed
WO-2000077519-A1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-12-21 WO disclosed