SCHEMBL16634556

SCHEMBL16634556

C=CC(=O)Nc1c(C)cc(F)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PSMB5 P28074 1/20 0.36
BRD4 O60885 2/20 0.35
MAPK3 P27361 1/20 0.35
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
BTK Q06187 1/20 0.33
TEK Q02763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33

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
SCHEMBL16634566 0.77 TGM2 (0.48) TGM2MAOAMAOBKMT2AALDH1A1
SCHEMBL2243240 0.75 TGM2 (0.45) TGM2MAOAMAOBBRD4LMNA
SCHEMBL16634491 0.74 TGM2 (0.51) TGM2BRD4MAPK3LMNATEK
SCHEMBL1022819 0.73 ALDH1A1 (0.55) TGM2MAOAMAOBLMNAKMT2A
SCHEMBL16634492 0.73 TGM2 (0.42) TGM2MAOAMAOBBRD4LMNA
SCHEMBL16634497 0.73 TGM2 (0.46) TGM2LMNABTKF13A1TGM1
SCHEMBL25247241 0.72 TGM2 (0.41) TGM2MAOAMAOBCCNKCDK12
SCHEMBL30368203 0.72 TGM2 (0.41) TGM2MAOAMAOBCCNKCDK12
SCHEMBL27780299 0.72 TGM2 (0.52) TGM2MAOAMAOBCCNKCDK12
SCHEMBL25294152 0.70 TGM2 (0.46) TGM2MAOAMAOBBRD4LMNA

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