SCHEMBL8731572

SCHEMBL8731572

COC(=O)c1ccc(Cl)c(CSC(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
P2RX3 P56373 1/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
CASR P41180 1/20 0.33
MAPT P10636 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL7574596 0.85 POLB (0.39) POLBMCOLN3ALDH1A1HPGDABL1
SCHEMBL8724651 0.83 KDM4E (0.36) POLBMCOLN3ALDH1A1HPGDABL1
SCHEMBL7584530 0.82 POLB (0.40) POLBMCOLN3ALDH1A1HPGDL3MBTL1
SCHEMBL7572960 0.79 ABL1 (0.41) POLBMCOLN3ALDH1A1HPGDABL1
SCHEMBL27326189 0.76 POLB (0.39) POLBMCOLN3ALDH1A1HPGDABL1
SCHEMBL29665109 0.73 ABL1 (0.46) ALDH1A1HPGDL3MBTL1ABL1TSHR
SCHEMBL8389312 0.71 ABL1 (0.40) POLBMCOLN3ALDH1A1HPGDABL1
SCHEMBL27326191 0.71 ABL1 (0.40) ALDH1A1HPGDL3MBTL1ABL1MRGPRX4
SCHEMBL8488636 0.71 ABL1 (0.45) ALDH1A1HPGDL3MBTL1ABL1MRGPRX4
SCHEMBL8492639 0.71 ABL1 (0.45) ALDH1A1HPGDL3MBTL1ABL1MRGPRX4

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-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed