SCHEMBL17080648

SCHEMBL17080648

O=C(CNc1ccccn1)N/N=C/c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.70
L3MBTL1 Q9Y468 11/20 0.70
MAPT P10636 10/20 0.70
TDP1 Q9NUW8 6/20 0.70
KMT2A Q03164 6/20 0.70
HTT P42858 6/20 0.70
MEN1 O00255 5/20 0.70
LMNA P02545 5/20 0.70
TP53 P04637 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HSP90AA1 P07900 1/20 0.70
GAA P10253 1/20 0.70
ADAM17 P78536 1/20 0.70
ATM Q13315 2/20 0.68
LIG1 P18858 2/20 0.61
LIG3 P49916 1/20 0.61
ALDH1A1 P00352 5/20 0.61
CCR6 P51684 1/20 0.56
HPGD P15428 2/20 0.55
ADORA2A P29274 1/20 0.54

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
SCHEMBL18114768 0.80 MAPT (0.70) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL18114764 0.80 MAPT (0.70) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL13401789 0.76 LIG1 (1.00) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL13401821 0.76 LIG1 (0.75) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL19298155 0.76 LIG1 (1.00) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL15457450 0.75 MEN1 (0.77) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL683798 0.74 KDM4E (0.78) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL31530751 0.73 KDM4E (0.69) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL1638695 0.73 MEN1 (0.78) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL21292847 0.73 DUSP3 (0.82) KDM4EL3MBTL1MAPTTDP1KMT2A

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
US-9623008-B2 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2017-04-18 US disclosed
US-9132120-B1 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2015-09-15 US disclosed