SCHEMBL5521234

SCHEMBL5521234

O=C(O)Cc1c(OCc2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
MCL1 Q07820 5/20 0.39
CCR8 P51685 2/20 0.38
HSD17B10 Q99714 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 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
SCHEMBL5514824 0.83 BRD4 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL2874923 0.83 BRD4 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL5512629 0.82 BRD4 (0.50) ALDH1A1L3MBTL1BRD4CCR8HSD17B10
SCHEMBL28772256 0.80 BRD4 (0.43) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL5514881 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL5507040 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL5506404 0.76 BRD4 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL2877960 0.76 BRD4 (0.47) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL5507850 0.76 GSTO1 (0.45) ALDH1A1L3MBTL1KMT2ABRD4MCL1
SCHEMBL5511290 0.76 BRD4 (0.48) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1

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