SCHEMBL6598680

SCHEMBL6598680

CCN(CCOc1cc(=O)[nH]nc1Cc1ccccc1)C(=O)O.O=C(O)CNC(=O)CC(F)=C(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.34
SLC6A9 P48067 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ROCK2 O75116 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD3 P35462 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
SCHEMBL1567545 0.86 PARP1 (0.42) PARP1SLC6A9KDM4EMAPTHTT
SCHEMBL1901773 0.75 MCHR1 (0.41) KDM4EKMT2ANPSR1
SCHEMBL6262185 0.69 PARP1 (0.33) PARP1
SCHEMBL9167908 0.63 LTA4H (0.51) SLC6A9KDM4EMAPTHTTKMT2A
SCHEMBL10876242 0.62 LTA4H (0.67) HTTKMT2A
SCHEMBL5405257 0.59 MCHR1 (0.40) KDM4ENPSR1
SCHEMBL395383 0.58 ALDH1A1 (0.37) KDM4EMAPTKMT2APOLB
SCHEMBL10777744 0.57 LMNA (0.60) KMT2ANPSR1
SCHEMBL10876048 0.57 PPARG (0.48) KDM4EMAPTL3MBTL1
SCHEMBL396952 0.57 MCHR1 (0.49) POLB

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-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP disclosed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO disclosed