SCHEMBL29953036

SCHEMBL29953036

O=C(NC1CCCCC1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL29954498 0.93 L3MBTL1 (0.53) L3MBTL1HPGDALDH1A1KMT2APOLB
SCHEMBL13139930 0.88 L3MBTL1 (0.58) L3MBTL1HPGDALDH1A1EPHX1MEN1
SCHEMBL12443197 0.88 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1EPHX1MEN1
SCHEMBL3080624 0.88 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1EPHX1MEN1
SCHEMBL3071849 0.86 L3MBTL1 (0.63) L3MBTL1HPGDALDH1A1EPHX1MEN1
SCHEMBL29952384 0.79 NPC1 (0.57) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL6321963 0.77 POLB (0.67) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7305442 0.77 NPC1 (0.46) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL9835734 0.76 KMT2A (0.66) HPGDALDH1A1EPHX1MEN1KMT2A
SCHEMBL29954726 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1MEN1KMT2A

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