SCHEMBL6260767

SCHEMBL6260767

NC(=O)c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.78
MMP9 P14780 4/20 0.78
MMP8 P22894 4/20 0.78
MMP13 P45452 4/20 0.78
CHEK2 O96017 14/20 0.73
HDAC6 Q9UBN7 1/20 0.66
PKN1 Q16512 1/20 0.65
PKN2 Q16513 1/20 0.65

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
SCHEMBL6264473 0.89 CHEK2 (0.62) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL20982670 0.87 CHEK2 (0.86) CHEK2PKN1PKN2
SCHEMBL27528263 0.84 MEN1 (0.74) CHEK2PKN1PKN2
Terephthalamide SCHEMBL28143925 0.83 CHEK2 (0.75) CHEK2PKN1PKN2
SCHEMBL6259634 0.83 CHEK2 (0.82) CHEK2PKN1PKN2
SCHEMBL2339157 0.82 MMP2 (0.84) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL24312910 0.81 PLAU (0.71) CHEK2PKN1PKN2
SCHEMBL29557707 0.81 PLAU (0.71) CHEK2PKN1PKN2
SCHEMBL6260769 0.81 MMP2 (1.00) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL6243391 0.80 CHEK2 (0.80) CHEK2

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
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed