SCHEMBL3655944

SCHEMBL3655944

O=C(O)c1cccn(NS(=O)(=O)c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KAT6A Q92794 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
BCAT1 P54687 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
METAP2 P50579 2/20 0.40
ACLY P53396 1/20 0.40
F2 P00734 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4773510 0.74 KDM4E (0.39) KDM4ECA1CA2BCAT1HPGD
SCHEMBL6304556 0.74 BRD4 (0.42) KMT2AKDM4ECA1CA2HPGD
SCHEMBL8503392 0.71 CA1 (0.46) KMT2AKDM4ECA1CA2MMP1
SCHEMBL8505057 0.69 UQCRB (0.47) KMT2AKAT6AKDM4ECA1CA2
SCHEMBL10765828 0.67 KDM4E (0.72) KMT2AKDM4EHPGDALDH1A1
SCHEMBL28930113 0.67 METAP2 (0.62) KMT2AKDM4EMCL1METAP2ACLY
SCHEMBL1466906 0.67 ALDH1A1 (0.72) KMT2AKDM4EHPGDMCL1METAP2
SCHEMBL20524816 0.66 ALDH1A1 (0.40) KDM4ECA1CA2MMP1MMP2
SCHEMBL7828749 0.65 ALDH1A1 (0.48) KDM4ECA1CA2HPGDALDH1A1
SCHEMBL16720110 0.65 CA1 (0.50) KMT2AKDM4ECA1CA2MMP1

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
CN-101784538-A Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer HOFFMANN LA ROCHE 2010-07-21 CN claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
CN-101784538-A Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer HOFFMANN LA ROCHE 2010-07-21 CN disclosed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP disclosed