SCHEMBL29954498

SCHEMBL29954498

O=C(NC1CC1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
ALOX5 P09917 1/20 0.40
HK1 P19367 1/20 0.40
HK2 P52789 1/20 0.40
ADRA2A P08913 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 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
SCHEMBL29953036 0.93 L3MBTL1 (0.50) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL7305442 0.83 NPC1 (0.46) L3MBTL1HPGDMAPTKMT2A
SCHEMBL4524559 0.81 L3MBTL1 (0.57) L3MBTL1POLBALDH1A1HPGDMAPT
SCHEMBL3071849 0.81 L3MBTL1 (0.63) L3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL3080624 0.80 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL12443197 0.80 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL13139930 0.80 L3MBTL1 (0.58) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL29954726 0.80 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTALOX5KMT2A
SCHEMBL4523306 0.78 GAA (0.60) L3MBTL1POLBALDH1A1HPGDMAPT
SCHEMBL8297924 0.77 MEN1 (0.65) POLBALDH1A1HPGDMAPTALOX5

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