SCHEMBL9944007

SCHEMBL9944007

O=C(O)[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HSD11B1 P28845 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
CTSK P43235 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL8656502 1.00 KMT2A (0.47) KMT2AMEN1HSD11B1HDAC1HDAC6
SCHEMBL8656510 1.00 KMT2A (0.47) KMT2AMEN1HSD11B1HDAC1HDAC6
SCHEMBL3225070 0.86 KMT2A (0.50) KMT2AMEN1L3MBTL1TSHRALDH1A1
SCHEMBL2327943 0.86 KMT2A (0.46) KMT2AMEN1HSD11B1HDAC1HDAC6
SCHEMBL2331058 0.83 KMT2A (0.44) KMT2AMEN1HSD11B1HDAC1HDAC6
SCHEMBL12984130 0.82 ALDH1A1 (0.47) KMT2AMEN1HDAC1HDAC6L3MBTL1
SCHEMBL10660607 0.81 MEN1 (0.49) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL1388218 0.80 EPOR (0.46) KMT2AMEN1HSD11B1TRPM8CTSK
SCHEMBL27462544 0.80 EPOR (0.46) KMT2AMEN1HSD11B1TRPM8CTSK
SCHEMBL1004997 0.79 ALDH1A1 (0.51) KMT2AMEN1L3MBTL1ALDH1A1LMNA

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-2464639-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed