SCHEMBL3580402

SCHEMBL3580402

CCOC(=O)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.69
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PIM1 P11309 1/20 0.58
CLK2 P49760 1/20 0.58
MAP4K2 Q12851 1/20 0.58
CAMK2D Q13557 1/20 0.58
DYRK1A Q13627 1/20 0.58
PIM3 Q86V86 1/20 0.58
AURKB Q96GD4 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
STK17A Q9UEE5 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
AR P10275 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL3574922 0.89 PARP1 (0.56) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL6948231 0.85 PARP1 (0.69) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7815539 0.83 PARP1 (0.57) PARP1PKN1PKN2ARMMP2
SCHEMBL6810422 0.83 PKN1 (0.76) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL3580405 0.83 MMP2 (0.50) PARP1ARMMP2MMP9MMP8
SCHEMBL7259082 0.82 GAA (0.65) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL29411909 0.82 PARP1 (1.00) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL7319465 0.82 PARP1 (1.00) PARP1PRKD3MAP4K4PIM1CLK2
SCHEMBL6330691 0.79 PARP1 (0.70) PARP1PKN1PKN2MMP2MMP9
SCHEMBL6170661 0.78 PARP1 (0.64) PARP1PRKD3MAP4K4PIM1CLK2

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
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed