SCHEMBL7676322

SCHEMBL7676322

CCCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(CC)ccc(Cl)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.35
S1PR4 O95977 1/20 0.35
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL7683507 0.94 PDE4B (0.38) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7676352 0.94 PTGS2 (0.37) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7677586 0.91 HTT (0.41) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7678756 0.89 HTT (0.38) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7684725 0.87 TSHR (0.38) HTTALDH1A1LMNAHPGDPDE4A
SCHEMBL7683047 0.85 PDE4A (0.38) ALDH1A1L3MBTL1LMNAHPGDPDE4A
SCHEMBL7677391 0.85 CNR1 (0.38) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7686045 0.84 HPGD (0.44) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7685558 0.84 PTGS2 (0.42) HTTALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7679315 0.83 ALDH1A1 (0.35) HTTALDH1A1L3MBTL1LMNAMAPT

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