SCHEMBL6304842

SCHEMBL6304842

COC(=O)c1ccc2nc(C(F)(F)F)c(=O)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HTT P42858 2/20 0.70
LMNA P02545 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KHK P50053 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
PABPC1 P11940 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP1 P09874 5/20 0.49
BRD4 O60885 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSNK2A1 P68400 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
HPGD P15428 1/20 0.45

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
SCHEMBL22963739 0.91 HTT (0.65) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL29396650 0.91 HTT (0.65) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL6304076 0.90 KDM4E (0.56) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL6088752 0.83 ALDH1A1 (1.00) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL22912779 0.81 KDM4E (0.62) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL29396732 0.81 KDM4E (0.62) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL30908290 0.81 KDM4E (0.61) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL10211596 0.81 KDM4E (0.62) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL6307894 0.80 ALDH1A1 (0.60) KDM4EALDH1A1HTTLMNAKHK
SCHEMBL22963740 0.79 HTT (0.59) KDM4EALDH1A1HTTLMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed