SCHEMBL9217403

SCHEMBL9217403

CCOC(=O)c1c(C(F)(F)F)n[nH]c1CCSCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
PDE4D Q08499 1/20 0.41
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
PLAT P00750 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL9218976 0.84 HCAR2 (0.38) KDM4EKMT2APOLBMAPTSMN1; SMN2
SCHEMBL4650523 0.83 KDM4E (0.55) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL4650633 0.80 KDM4E (0.49) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL20471481 0.77 KDM4E (0.74) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL17777909 0.74 KDM4E (0.55) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL4650539 0.72 KDM4E (0.52) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL4650693 0.72 KDM4E (0.52) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL20471495 0.70 KDM4E (0.50) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL3848316 0.69 KDM4E (0.52) KDM4EKMT2APOLBMAPTPDE4D
SCHEMBL2594095 0.69 KDM4E (0.49) KDM4EKMT2APOLBMAPTPDE4D

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
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed