SCHEMBL7866816

SCHEMBL7866816

O=C(O)CCC(=O)Nc1cc(B(O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
SHMT2 P34897 1/20 0.40

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
SCHEMBL7866812 1.00 RAB9A (0.47) RAB9AGAAMAPTNPC1MEN1
SCHEMBL27818256 0.81 RAB9A (0.49) RAB9AGAAMAPTNPC1MEN1
SCHEMBL29951118 0.79 NPSR1 (0.50) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL1060188 0.79 KMT2A (0.49) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL1060190 0.79 KMT2A (0.49) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL2248049 0.76 NPSR1 (0.48) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29757978 0.73 CYP1A2 (0.48) MAPTALDH1A1TDP1NPSR1
SCHEMBL21196844 0.73 CYP1A2 (0.48) MAPTALDH1A1TDP1NPSR1
SCHEMBL1810653 0.73 RAB9A (0.47) RAB9AGAAMAPTNPC1MEN1
SCHEMBL3985952 0.70 CYP1A1 (0.66) MAPTMEN1KMT2AALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741734-B1 PHENYLBORONIC ACID COMPLEXES PROLINX INC (US) 2001-04-04 EP disclosed
US-5677431-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-10-14 US disclosed
US-5623055-A Phenylboronic acid complexes derived from aminosalicylic acid for bioconjugate preparation PROLINX, INC. (US) 1997-04-22 US disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 WO disclosed