SCHEMBL5507040

SCHEMBL5507040

NC(=O)Cc1c(Cc2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR8 P51685 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35

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
SCHEMBL5511290 0.86 BRD4 (0.48) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL5521234 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL2874923 0.78 BRD4 (0.49) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL5514824 0.78 BRD4 (0.49) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL2869220 0.77 BRD4 (0.47) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL13774339 0.77 BRD4 (0.48) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL5512629 0.77 BRD4 (0.50) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL2877960 0.76 BRD4 (0.47) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL2875763 0.74 BRD4 (0.46) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10
SCHEMBL5621493 0.73 BRD4 (0.45) ALDH1A1L3MBTL1BRD4KDM4EHSD17B10

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-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed