SCHEMBL27720126

SCHEMBL27720126

CC(=O)OCc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MDM2 Q00987 5/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
PI4KB Q9UBF8 1/20 0.36
MCL1 Q07820 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
SCHEMBL27699545 0.93 BRD4 (0.47) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27699596 0.92 BRD4 (0.46) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL5620480 0.88 BRD4 (0.46) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL28772256 0.88 BRD4 (0.43) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL5506423 0.87 BRD4 (0.48) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27751343 0.87 BRD4 (0.44) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27772050 0.85 BRD4 (0.44) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27720121 0.85 ALDH1A1 (0.43) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27772187 0.84 BRD4 (0.43) BRD4ALDH1A1LMNAMEN1KMT2A
SCHEMBL27751366 0.83 BRD4 (0.43) BRD4ALDH1A1LMNAMEN1KMT2A

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