SCHEMBL16634519

SCHEMBL16634519

C=CC(=O)Nc1cc(B(O)O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.44
BTK Q06187 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK3 P27361 3/20 0.38
F13A1 P00488 1/20 0.37
LMNA P02545 1/20 0.37
TGM1 P22735 1/20 0.37
TGM3 Q08188 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
VCP P55072 1/20 0.36
PSMB5 P28074 1/20 0.36
RORC P51449 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL28900184 0.88 TGM2 (0.44) TGM2MAPK3F13A1LMNATGM1
SCHEMBL14750323 0.81 BTK (0.46) TGM2BTK
SCHEMBL15356556 0.81 ITK (0.43) TGM2BTKJAK3F13A1LMNA
SCHEMBL31162390 0.80 TGM2 (0.58) TGM2MAPK3LMNA
SCHEMBL21894170 0.80 TGM2 (0.58) TGM2MAPK3LMNA
SCHEMBL15279864 0.80 ALDH1A1 (0.52) LMNA
SCHEMBL15359415 0.80 TGM2 (0.41) TGM2BTKJAK3F13A1LMNA
SCHEMBL23293735 0.79 TGM2 (0.47) TGM2BTKJAK3MAPK3F13A1
SCHEMBL11508898 0.79 TGM2 (0.61) TGM2BTKJAK3F13A1LMNA
SCHEMBL28900078 0.78 TTR (0.45) TGM2BTKJAK3F13A1LMNA

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