SCHEMBL16634566

SCHEMBL16634566

C=CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.48
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.37
ALOX5 P09917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL16634556 0.77 TGM2 (0.42) TGM2ALDH1A1MAOAMAOBKMT2A
SCHEMBL29757976 0.77 TGM2 (0.56) TGM2ALDH1A1GAAMAPTL3MBTL1
SCHEMBL20194446 0.75 ALDH1A1 (0.47) ALDH1A1GAAHPGDGPR35MAPT
SCHEMBL28274064 0.75 TGM2 (0.57) TGM2ALDH1A1GAAHPGDGPR35
SCHEMBL31680492 0.74 TGM2 (0.56) TGM2ALDH1A1GAAMAPTTDP1
SCHEMBL9681922 0.73 ALDH1A1 (0.59) TGM2ALDH1A1GAAMAPTTDP1
SCHEMBL16634560 0.72 TGM2 (0.57) TGM2ALDH1A1HPGDMAPTMAPK1
SCHEMBL29757979 0.71 TGM2 (0.46) TGM2ALDH1A1GPR35MAPTTDP1
SCHEMBL18415443 0.71 ALDH1A1 (0.53) ALDH1A1HPGDGPR35MAPTTDP1
SCHEMBL17997748 0.71 ALDH1A1 (0.50) ALDH1A1GAAHPGDGPR35MAPT

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