SCHEMBL29953854

SCHEMBL29953854

O=Cc1c[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MEN1 O00255 1/20 0.41
PARP1 P09874 1/20 0.39
IDO1 P14902 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA2 P47869 1/20 0.38
ERN1 O75460 2/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MET P08581 1/20 0.36
CYP3A4 P08684 1/20 0.36
NAMPT P43490 1/20 0.36
XDH P47989 1/20 0.36
RIPK1 Q13546 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL4355680 1.00 KMT2A (0.46) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL4348528 0.82 DYRK1A (0.41) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL4348525 0.82 DYRK1A (0.41) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL23926473 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL31403578 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL30590799 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL15839995 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL21463510 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL21618377 0.78 DYRK1A (0.44) KMT2ADYRK1ADYRK1BMEN1PARP1
SCHEMBL30628638 0.78 DYRK1A (0.47) KMT2ADYRK1ADYRK1BMEN1PARP1

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