SCHEMBL4252587

SCHEMBL4252587

CCOC(=O)c1c(Br)c2ccccc2n1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.56
P2RX4 Q99571 1/20 0.49
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SIRT3 Q9NTG7 1/20 0.47
AGTR1 P30556 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.45
ABCB1 P08183 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL23931478 0.81 ALDH1A1 (0.56) ELANEMAPTALDH1A1GAAKDM4E
SCHEMBL12229940 0.76 NOD2 (0.49) ELANENOD2NOD1MAPTLMNA
SCHEMBL12571273 0.73 PTGS2 (0.60) ELANEP2RX4MAPTLMNAHTT
SCHEMBL1999770 0.73 ELANE (0.50) ELANEMAPTLMNASIRT3ALDH1A1
SCHEMBL2887731 0.71 MAPT (0.64) ELANEMAPTHTTALDH1A1GAA
SCHEMBL16110173 0.71 KDM4E (0.58) ELANELMNAALDH1A1GAAKDM4E
SCHEMBL16796712 0.71 NTRK1 (0.48) ELANEMAPTALDH1A1GAARECQL
SCHEMBL872109 0.71 P2RX4 (0.81) ELANEP2RX4MAPTLMNAHTT
Ethyl Benzoate SCHEMBL27940401 0.71 LMNA (0.68) MAPTLMNAALDH1A1GAA
SCHEMBL13598526 0.71 NOD2 (0.57) ELANENOD2NOD1MAPTLMNA

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-2084131-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed