SCHEMBL16634560

SCHEMBL16634560

C=CC(=O)Nc1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.57
MAP2K7 O14733 1/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
DDX3X O00571 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 2/20 0.37
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37

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
SCHEMBL15542587 0.76 TGM2 (0.56) TGM2MAP2K7MEN1MAPTKMT2A
SCHEMBL21122585 0.76 TGM2 (0.43) TGM2LMNAF13A1TGM1TGM3
SCHEMBL30935106 0.76 TGM2 (0.53) TGM2MAP2K7LMNAF13A1TGM1
SCHEMBL30935247 0.76 TGM2 (0.53) TGM2LMNAF13A1TGM1TGM3
SCHEMBL4625132 0.75 MEN1 (0.61) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL4748934 0.75 TGM2 (0.62) TGM2MEN1MAPTKMT2AMAPK1
SCHEMBL5149342 0.75 KMT2A (0.69) TGM2MAP2K7MEN1MAPTKMT2A
SCHEMBL5846849 0.74 ALOX5 (0.44) MEN1MAPTKMT2AMAPK1HTT
SCHEMBL6330190 0.74 CYP19A1 (0.54) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL3919472 0.73 TGM2 (1.00) TGM2MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10088476-B2 Volume response sensors having analyte controlled reversible crosslinking THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-02 US disclosed
US-20160252505-A1 VOLUME RESPONSE SENSORS HAVING ANALYTE CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI S (US) 2016-09-01 US disclosed
WO-2015053975-A1 VOLUME RESPONSE SENSORS HAVING CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO disclosed