SCHEMBL6167693

SCHEMBL6167693

COC(=O)Oc1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
STAT3 P40763 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 4/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KCNMA1 Q12791 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL27683380 0.84 DYRK1A (0.34) DYRK1AMAPK1MAPTGAAALDH1A1
SCHEMBL9978669 0.82 SMN1; SMN2 (0.33) MEN1KMT2APOLBL3MBTL1
SCHEMBL28802178 0.80 MAPT (0.36) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL627520 0.74 MAPK1 (0.57) POLBMAPK1MAPTHTTGAA
SCHEMBL15728491 0.70 KMT2A (0.47) MEN1KMT2APOLBKDM4EMAPK1
SCHEMBL7097302 0.69 LMNA (0.36) MEN1KMT2APOLBMAPTGAA
SCHEMBL12332643 0.68 SMN1; SMN2 (0.37) DYRK1AMEN1KMT2APOLBKDM4E
SCHEMBL14917715 0.67 MAPK1 (0.34) DYRK1AKMT2AMAPK1MAPTHTT
SCHEMBL10399828 0.66
SCHEMBL2427435 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP disclosed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 WO disclosed