SCHEMBL2557804

SCHEMBL2557804

O=[N+]([O-])c1ccc(-n2nccc2B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.41
XDH P47989 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL8335743 0.79 MAPT (0.47) MAPTKMT2AMEN1POLBTDP1
SCHEMBL5408760 0.76 POLB (0.55) MAPTKMT2AMEN1POLBTDP1
SCHEMBL4879569 0.72 PTGS1 (0.48) MAPTKMT2AMEN1POLBTDP1
SCHEMBL10561726 0.71 CA12 (0.58) MAPTKMT2AMEN1POLBTDP1
SCHEMBL19240298 0.71 SMN1; SMN2 (0.56) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL15560058 0.69 PTGS1 (0.61) MAPTKMT2AMEN1POLBTDP1
SCHEMBL15559375 0.69 ACHE (0.51) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL15558972 0.69 MAPT (0.46) MAPTKMT2AMEN1POLBTDP1
SCHEMBL6448561 0.69 SCN2A (0.50) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL28766878 0.68 HTT (0.46) MAPTKMT2AMEN1POLBTDP1

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-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed