SCHEMBL10692625

SCHEMBL10692625

O=[N+]([O-])c1cccc2nc(-c3ccco3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
LIMK1 P53667 1/20 0.56
CDK5 Q00535 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10692619 0.78 PKN1 (0.60) CHEK1LIMK1CDK5CLK4ALOX5
SCHEMBL1895139 0.77 MEN1 (0.56) ADORA3KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL5204870 0.75 MEN1 (0.43) ADORA3ADORA2BKMT2AKDM4ESMN1; SMN2
SCHEMBL6332534 0.75 MAPT (0.51) ADORA3KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL3558120 0.74 ALDH1A1 (0.49) CHEK1LIMK1CDK5CLK4ALOX5
SCHEMBL1013587 0.73 MAPT (0.53) KMT2AKDM4ESMN1; SMN2MEN1MAPT
SCHEMBL31049562 0.73 GUSB (0.53) KMT2AKDM4ESMN1; SMN2MEN1MAPT
SCHEMBL1900026 0.73 HPGD (0.54) ADORA3KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL11086043 0.72 ALDH1A1 (0.45) CHEK1LIMK1CDK5CLK4ALOX5
SCHEMBL1201707 0.72 TYMS (0.56) CDK5KMT2AKDM4ESMN1; SMN2MEN1

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