SCHEMBL5513699

SCHEMBL5513699

CC(C)(C)OC(=O)c1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.46
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.37
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL5508350 0.93 BRD4 (0.48) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3996870 0.91 BRD4 (0.47) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5511259 0.87 BRD4 (0.46) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5505156 0.86 BRD4 (0.46) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3998583 0.84 BRD4 (0.46) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5516306 0.84 ALDH1A1 (0.44) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5620480 0.83 BRD4 (0.46) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5506423 0.81 BRD4 (0.48) BRD4ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5509086 0.81 BRD4 (0.48) BRD4ALDH1A1MEN1LMNAKMT2A
SCHEMBL27720126 0.81 BRD4 (0.44) BRD4ALDH1A1SMN1; SMN2MEN1LMNA

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