SCHEMBL7683318

SCHEMBL7683318

COCc1c(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
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
BRD4 O60885 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
HPGD P15428 3/20 0.31
KMT2A Q03164 2/20 0.31
ABL1 P00519 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.31
BDKRB2 P30411 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7676299 0.92 TSHR (0.34) PTGS2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL7681363 0.90 PTGS2 (0.41) PTGS2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL7685116 0.90 ALDH1A1 (0.34) ALDH1A1HSD17B10GAAPDE4APDE4B
SCHEMBL7686030 0.86 PTGS2 (0.35) PTGS2ALDH1A1KDM4EHSD17B10PDE4A
SCHEMBL7676272 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10PDE4APDE4B
SCHEMBL7678830 0.84 PDE4A (0.33) ALDH1A1HSD17B10GAAPDE4APDE4B
SCHEMBL7675255 0.83 CNR1 (0.40) POLB
SCHEMBL7677645 0.82 PTGS2 (0.40) PTGS2ALDH1A1KDM4EPDE4APDE4B
SCHEMBL7677560 0.80 GRM5 (0.35) ALDH1A1KDM4EHSD17B10GAAPDE4A
SCHEMBL7679361 0.80 PDE4B (0.38) PTGS2ALDH1A1HSD17B10GAAPDE4A

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