SCHEMBL2649835

SCHEMBL2649835

CN(C)c1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3nnnn3C)s2)c(C(=O)C2CCCC2)c1.Cn1nnnc1S(=O)(=O)c1cnc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)C2CCCC2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
ITK Q08881 2/20 0.31
PIK3CA P42336 2/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
GAA P10253 1/20 0.30
MAPK13 O15264 1/20 0.30

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
SCHEMBL1343424 0.95 GHSR (0.38) GHSRCHRNA4SLC6A3MAPTALDH1A1
SCHEMBL1340210 0.91 GAA (0.35) MAPTRAB9ASMN1; SMN2ALDH1A1ITK
SCHEMBL2649830 0.89 CHRNA4 (0.32) GHSRCHRNA4SLC6A3MAPTHTT
SCHEMBL1342788 0.82 MAPT (0.33) MAPTHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1342409 0.82 SMN1; SMN2 (0.35) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL1341777 0.82 ALDH1A1 (0.40) GHSRCHRNA4SLC6A3MAPTHTT
SCHEMBL1342835 0.81 GAA (0.36) MAPTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL1342842 0.81 GHSR (0.38) GHSRCHRNA4SLC6A3MAPTRAB9A
SCHEMBL1341285 0.80 IDH1 (0.37) GHSRCHRNA4SLC6A3MAPTALDH1A1
SCHEMBL1340896 0.80 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed