SCHEMBL16634492

SCHEMBL16634492

C=CC(=O)Nc1c(B(O)O)ccc(F)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.42
GSTO1 P78417 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
F13A1 P00488 1/20 0.36
LMNA P02545 1/20 0.36
TGM1 P22735 1/20 0.36
TGM3 Q08188 1/20 0.36
FGFR4 P22455 1/20 0.35
BTK Q06187 3/20 0.33
ITK Q08881 2/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK3 P52333 1/20 0.33
BRD4 O60885 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
SCHEMBL29410354 0.83 TGM2 (0.46) TGM2GSTO1MAOAMAOBF13A1
SCHEMBL25247069 0.83 TGM2 (0.46) TGM2GSTO1MAOAMAOBF13A1
SCHEMBL25294152 0.77 TGM2 (0.46) TGM2GSTO1MAOAMAOBF13A1
SCHEMBL29204707 0.76 TGM2 (0.42) TGM2MAOAMAOBF13A1LMNA
SCHEMBL2243240 0.75 TGM2 (0.45) TGM2MAOAMAOBF13A1LMNA
SCHEMBL26243787 0.74 WDR5 (0.44)
SCHEMBL1369735 0.74 TGM2 (0.56) TGM2GSTO1F13A1LMNATGM1
SCHEMBL16634556 0.73 TGM2 (0.42) TGM2MAOAMAOBF13A1LMNA
SCHEMBL25393645 0.71 TGM2 (0.40) TGM2GSTO1FGFR4BTKITK
SCHEMBL30599491 0.71 TGM2 (0.40) TGM2GSTO1FGFR4BTKITK

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