SCHEMBL27699596

SCHEMBL27699596

CC(=O)OCc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.39
CCR8 P51685 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL28772256 0.96 BRD4 (0.43) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27720121 0.93 ALDH1A1 (0.43) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27720126 0.92 BRD4 (0.44) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27699545 0.92 BRD4 (0.47) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27772021 0.90 TLR8 (0.42) BRD4ALDH1A1LMNATLR8TLR7
SCHEMBL27720087 0.90 BRD4 (0.46) BRD4LMNATLR8TLR7MEN1
SCHEMBL27751343 0.90 BRD4 (0.44) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27772050 0.90 BRD4 (0.44) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL13774339 0.89 BRD4 (0.48) BRD4ALDH1A1L3MBTL1LMNATLR8
SCHEMBL27772187 0.88 BRD4 (0.43) BRD4ALDH1A1L3MBTL1LMNAMEN1

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
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN claimed
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed