SCHEMBL10691037

SCHEMBL10691037

Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.68
MMP9 P14780 5/20 0.68
MMP8 P22894 5/20 0.68
MMP13 P45452 5/20 0.68
SLC2A1 P11166 1/20 0.56
NPBWR1 P48145 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL10689470 0.86 MMP2 (0.70) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10688373 0.85 MMP2 (0.68) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL10690246 0.85 MMP2 (0.68) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL7461639 0.81 MMP2 (0.64) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10689852 0.81 MMP2 (0.64) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL10694677 0.81 MMP2 (1.00) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL18890544 0.79 ALDH1A1 (0.49) MMP2MMP9MMP8MMP13MAPT
SCHEMBL30360160 0.77 MMP2 (0.68) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL2250050 0.75 MMP2 (0.80) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL6826824 0.74 FBP1 (0.42) MAPTMEN1KMT2ANPC1SMN1; SMN2

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
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