SCHEMBL6237449

SCHEMBL6237449

Cc1cccc(C(N)=O)c1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.62
MKNK2 Q9HBH9 9/20 0.62
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
SIRT3 Q9NTG7 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PARP1 P09874 1/20 0.49
DHODH Q02127 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2A6 P11509 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL27880990 0.90 MKNK1 (0.58) MKNK1MKNK2PKN1PKN2SIRT3
SCHEMBL30410982 0.86 MKNK1 (0.54) MKNK1MKNK2PKN1PKN2SIRT3
SCHEMBL17591715 0.86 MKNK1 (0.54) MKNK1MKNK2PKN1PKN2SIRT3
SCHEMBL30343294 0.82 MKNK1 (0.64) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL30702229 0.82 MKNK1 (0.59) MKNK1MKNK2SIRT3TDP1PARP1
SCHEMBL8809860 0.82 BCAT2 (0.56) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL30702237 0.82 MKNK1 (0.59) MKNK1MKNK2SIRT3TDP1PARP1
SCHEMBL6237458 0.81 MKNK1 (0.58) MKNK1MKNK2PKN1PKN2SIRT3
SCHEMBL21476509 0.81 CYP2A6 (0.60) MKNK1MKNK2LMNAKDM4EHTT
SCHEMBL22468503 0.81 MKNK1 (0.62) MKNK1MKNK2PKN1PKN2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP claimed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP claimed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO claimed
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP disclosed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed