SCHEMBL7601944

SCHEMBL7601944

COC(=O)C(C)(C)c1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
PTGES O14684 5/20 0.42
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PGR P06401 1/20 0.42
HTR1E P28566 3/20 0.40
S1PR3 Q99500 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 5/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1177980 0.87 PTGES (0.41) KMT2APTGESHTR1ES1PR3MEN1
SCHEMBL7601830 0.84 PTGES (0.46) KMT2APTGESPDE4DPDE4APDE4B
SCHEMBL7606055 0.82 KMT2A (0.43) KMT2APTGESPDE4DPDE4APDE4B
SCHEMBL7601815 0.82 KMT2A (0.44) KMT2APTGESPGRHTR1ES1PR3
SCHEMBL7601086 0.82 PTGES (0.54) KMT2APTGESPDE4DPDE4APDE4B
SCHEMBL13660747 0.82 PTGES (0.51) KMT2APTGESPDE4DPDE4APDE4B
SCHEMBL1193786 0.81 PTGES (0.43) KMT2APTGESHTR1ES1PR3MEN1
SCHEMBL7601831 0.80 PTGES (0.46) KMT2APTGESPDE4DPDE4APDE4B
SCHEMBL13660757 0.78 PTGS2 (0.48) KMT2APTGESPTGS2
SCHEMBL1177715 0.77 PTGES (0.44) KMT2APTGESHTR1ES1PR3MEN1

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed