SCHEMBL13901433

SCHEMBL13901433

CN(CCS(=O)(=O)O)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
TNF P01375 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MLYCD O95822 2/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
ACHE P22303 1/20 0.44
LIMK2 P53671 2/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
LIMK1 P53667 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL5678625 0.86 HSD11B1 (0.49) HSD11B1TNFCDK4CCND1KMT2A
SCHEMBL11210779 0.83 KMT2A (0.56) HSD11B1TNFCDK4CCND1KMT2A
SCHEMBL4362033 0.82 HSD11B1 (0.43) HSD11B1KMT2AMEN1LTA4H
Benzene SCHEMBL27406951 0.79 HDAC6 (0.48) HSD11B1TNFCDK4CCND1KMT2A
SCHEMBL8641718 0.78 HDAC6 (0.59) CDK4CCND1KMT2AMEN1MLYCD
SCHEMBL1004454 0.78 KMT2A (0.51) HSD11B1CDK4CCND1KMT2AMEN1
SCHEMBL6598473 0.78 KMT2A (0.51) TNFCDK4CCND1KMT2AMEN1
SCHEMBL1006489 0.78 NAMPT (0.54) CDK4CCND1KMT2AMEN1MLYCD
SCHEMBL11210960 0.78 HDAC6 (0.59) CDK4CCND1KMT2AMEN1MLYCD
SCHEMBL92123 0.77 KMT2A (0.40) TNFCDK4CCND1KMT2AMEN1

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
EP-1788429-B1 Method of making a lithographic printing plate AGFA GRAPHICS NV (BE) 2009-03-18 EP disclosed
WO-2007057346-A2 METHOD OF MAKING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2007-05-24 WO disclosed
EP-1788429-A1 Method of making a lithographic printing plate Agfa Graphics N.V. (BE) 2007-05-23 EP disclosed