SCHEMBL27763514

SCHEMBL27763514

O=C(Nc1ccccc1)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PAX8 Q06710 1/20 0.46
DHODH Q02127 4/20 0.45
PARP1 P09874 4/20 0.43
DDIT3 P35638 1/20 0.42
NPC1 O15118 3/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
JAK2 O60674 1/20 0.40
F12 P00748 1/20 0.40
GRM5 P41594 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 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
SCHEMBL27742896 0.91 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27763518 0.91 MMP2 (0.50) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27742883 0.91 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27763521 0.87 MMP2 (0.53) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27763527 0.86 MMP2 (0.52) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27742870 0.86 MMP2 (0.52) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27763507 0.86 MMP2 (0.52) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27742891 0.84 DHODH (0.49) MMP2MMP9MMP8MMP13MEN1
SCHEMBL27742882 0.83 DHODH (0.48) MEN1KMT2ADHODHPARP1NPC1
SCHEMBL27742898 0.83 MAPT (0.49) MEN1KMT2ADHODHPARP1NPC1

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