SCHEMBL27763521

SCHEMBL27763521

O=C(Nc1ccccc1O)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
KCNMA1 Q12791 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 2/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RORC P51449 1/20 0.41
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
DHODH Q02127 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27742870 0.90 MMP2 (0.52) MMP2MMP9MMP8MMP13TDP1
SCHEMBL27763507 0.90 MMP2 (0.52) MMP2MMP9MMP8MMP13TDP1
SCHEMBL27763527 0.90 MMP2 (0.52) MMP2MMP9MMP8MMP13TDP1
SCHEMBL27763514 0.87 MMP2 (0.56) MMP2MMP9MMP8MMP13PARP1
SCHEMBL27742897 0.84 NPC1 (0.44) PARP1NPC1LMNATP53GAA
SCHEMBL27742883 0.83 MMP2 (0.50) MMP2MMP9MMP8MMP13PARP1
SCHEMBL27742896 0.83 MMP2 (0.50) MMP2MMP9MMP8MMP13L3MBTL1
SCHEMBL27763518 0.83 MMP2 (0.50) MMP2MMP9MMP8MMP13PARP1
SCHEMBL27763526 0.83 KCNMA1 (0.50) MMP2MMP9MMP8MMP13KCNMA1
SCHEMBL27742888 0.80 KCNMA1 (0.47) MMP2MMP9MMP8MMP13KCNMA1

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
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN disclosed