SCHEMBL5207369

SCHEMBL5207369

COc1ccc(CNC(=O)CC2CN(S(=O)(=O)N(C)C)CCN2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
WDR5 P61964 1/20 0.40
PDE5A O76074 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 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
SCHEMBL5193168 0.90 RAB9A (0.47) GAALMNATP53KMT2ANPC1
SCHEMBL5192873 0.83 LMNA (0.47) GAALMNAKMT2APDE5A
SCHEMBL5191071 0.83 LMNA (0.47) GAALMNAKMT2APDE5A
SCHEMBL5278574 0.79 LMNA (0.48) GAALMNANPC1PDE5A
SCHEMBL5193999 0.78 ALDH1A1 (0.46) GAALMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL5190702 0.77 GAA (0.49) GAALMNAKMT2ATSHRWDR5
SCHEMBL5190763 0.77 RXFP1 (0.46) GAALMNAKMT2APDE5AL3MBTL1
SCHEMBL5195631 0.77 TSHR (0.48) GAAKMT2AHTTTSHRALDH1A1
SCHEMBL5190136 0.76 EPHX2 (0.52) GAAKMT2AHTTTSHRALDH1A1
SCHEMBL5190900 0.76 POLB (0.49) GAAKMT2ANPC1NPSR1PDE5A

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed