SCHEMBL29954974

SCHEMBL29954974

O=Cc1cnc2[nH]cc([N+](=O)[O-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
XDH P47989 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
VCAM1 P19320 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KMT2A Q03164 1/20 0.36
MET P08581 1/20 0.36
ALDH3A1 P30838 2/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 2/20 0.33
ALDH1A3 P47895 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23166582 0.78 DYRK1A (0.39) VCAM1DYRK1ADYRK1BMETKDM4E
SCHEMBL15155057 0.78 JAK2 (0.48) DYRK1ADYRK1BMET
SCHEMBL15154912 0.78 SMN1; SMN2 (0.44) DYRK1ADYRK1BMETMAPTLMNA
SCHEMBL7114099 0.78 DYRK1A (0.48) DYRK1ADYRK1BKMT2AMETALDH1A1
SCHEMBL24764929 0.77 KMT2A (0.54) AXLKMT2AALDH1A1MAPTKDM4E
SCHEMBL22050731 0.75 JAK2 (0.41) VCAM1DYRK1ADYRK1BMET
SCHEMBL20292802 0.74 AXL (0.45) AXLDYRK1ADYRK1BKMT2A
SCHEMBL20319048 0.74 MET (0.44) AXLKMT2AMET
SCHEMBL22517081 0.74 PRMT5 (0.42) AXLDYRK1AKMT2A
SCHEMBL18371565 0.74 BTK (0.42) AXLKMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed