SCHEMBL28772256

SCHEMBL28772256

CC(=O)OCc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12.O=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MCL1 Q07820 4/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR8 P51685 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TP53 P04637 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
SCHEMBL27699596 0.96 BRD4 (0.46) BRD4ALDH1A1L3MBTL1MCL1TLR8
SCHEMBL5514824 0.92 BRD4 (0.49) BRD4ALDH1A1L3MBTL1PTGDR2TLR8
SCHEMBL2874923 0.92 BRD4 (0.49) BRD4ALDH1A1L3MBTL1PTGDR2TLR8
SCHEMBL5512629 0.91 BRD4 (0.50) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL27720121 0.89 ALDH1A1 (0.43) BRD4ALDH1A1L3MBTL1MCL1TLR8
SCHEMBL27720126 0.88 BRD4 (0.44) BRD4ALDH1A1L3MBTL1PTGDR2MCL1
SCHEMBL27699545 0.88 BRD4 (0.47) BRD4ALDH1A1L3MBTL1PTGDR2TLR8
SCHEMBL13774339 0.87 BRD4 (0.48) BRD4ALDH1A1L3MBTL1PTGDR2TLR8
SCHEMBL27772021 0.87 TLR8 (0.42) BRD4ALDH1A1MCL1TLR8TLR7
SCHEMBL27720087 0.87 BRD4 (0.46) BRD4MCL1TLR8TLR7MEN1

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 1 patent. 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 disclosed