SCHEMBL10692619

SCHEMBL10692619

O=[N+]([O-])c1cccc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
CHEK1 O14757 1/20 0.56
LIMK1 P53667 1/20 0.56
CDK5 Q00535 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
ADORA3 P0DMS8 2/20 0.54
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL10692625 0.78 CHEK1 (0.56) CHEK1LIMK1CDK5CLK4ADORA3
SCHEMBL27961282 0.77 PKN1 (0.79) PKN1PKN2ADORA3MGAMGAA
SCHEMBL6663139 0.76 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5204856 0.75 PKN1 (0.63) PKN1PKN2ADORA3MGAMGAA
SCHEMBL6332531 0.75 PKN1 (0.61) PKN1PKN2ADORA3MGAMGAA
SCHEMBL31049579 0.74 PKN1 (0.73) PKN1PKN2ADORA3MGAMGAA
SCHEMBL7886398 0.74 PKN1 (0.73) PKN1PKN2ADORA3MGAMGAA
SCHEMBL10172967 0.74 PKN1 (0.73) PKN1PKN2ADORA3MGAMGAA
SCHEMBL1013588 0.73 PKN1 (0.60) PKN1PKN2ADORA3MGAMGAA
SCHEMBL29411967 0.73 PARP1 (0.63) PKN1PKN2CLK4PARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252028-A1 Process for preparing nitrofurylbenzimidazoles and pharmaceutical compositions having antimycotic, antibacterial and antitubercular activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP claimed
EP-0252028-A1 Process for preparing nitrofurylbenzimidazoles and pharmaceutical compositions having antimycotic, antibacterial and antitubercular activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP disclosed
EP-0252028-A1 Process for preparing nitrofurylbenzimidazoles and pharmaceutical compositions having antimycotic, antibacterial and antitubercular activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP disclosed
EP-0252028-A1 Process for preparing nitrofurylbenzimidazoles and pharmaceutical compositions having antimycotic, antibacterial and antitubercular activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP disclosed