SCHEMBL7686030

SCHEMBL7686030

COC(=O)c1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCCCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
S1PR4 O95977 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 3/20 0.31
KMT2A Q03164 2/20 0.31
F2 P00734 1/20 0.31
HPGD P15428 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL7682616 0.91 ALDH1A1 (0.39) L3MBTL1ALDH1A1HTTLMNAKDM4E
SCHEMBL7679315 0.91 ALDH1A1 (0.35) PTGS2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL7685558 0.90 PTGS2 (0.42) PTGS2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL7679294 0.89 ALDH1A1 (0.34) L3MBTL1ALDH1A1HTTLMNAPDE4A
SCHEMBL7683318 0.86 PTGS2 (0.35) PTGS2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL7685639 0.85 ALDH1A1 (0.36) L3MBTL1ALDH1A1HTTLMNAPDE4A
SCHEMBL7678756 0.83 HTT (0.38) L3MBTL1ALDH1A1HTTLMNAKDM4E
SCHEMBL7675254 0.83 POLB (0.39) KMT2AMEN1
SCHEMBL7685879 0.82 MAPT (0.34) L3MBTL1ALDH1A1LMNAPDE4APDE4B
SCHEMBL7677586 0.82 HTT (0.41) PTGS2L3MBTL1ALDH1A1HTTLMNA

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
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed