SCHEMBL7601830

SCHEMBL7601830

C=C(O)C(C)(C)Cc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.46
KMT2A Q03164 4/20 0.42
PGR P06401 1/20 0.42
HTR1E P28566 3/20 0.40
S1PR3 Q99500 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TP53 P04637 2/20 0.37
ACKR3 P25106 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7601086 0.88 PTGES (0.54) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL7601831 0.86 PTGES (0.46) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL7601944 0.84 KMT2A (0.42) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL13660747 0.83 PTGES (0.51) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL7606055 0.82 KMT2A (0.43) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL7601815 0.82 KMT2A (0.44) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL1178961 0.81 PTGES (0.46) PTGESKMT2AHTR1ES1PR3LMNA
SCHEMBL1177715 0.80 PTGES (0.44) PTGESKMT2AHTR1ES1PR3LMNA
SCHEMBL7601328 0.79 KMT2A (0.44) PTGESKMT2APGRHTR1ES1PR3
SCHEMBL7602080 0.78 PTGES (0.43) PTGESKMT2APGRLMNAMEN1

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