SCHEMBL2364684

SCHEMBL2364684

C=CC(=O)Nc1cc(B(O)O)ccc1[N+](=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.37
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
F13A1 P00488 1/20 0.34
LMNA P02545 1/20 0.34
TGM1 P22735 1/20 0.34
TGM3 Q08188 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
BTK Q06187 2/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
RORC P51449 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL2248049 0.87 NPSR1 (0.48) TGM2NPSR1RXFP1RORC
SCHEMBL16634476 0.79 ALDH1A1 (0.47) TGM2NPSR1RXFP1RORC
SCHEMBL14750323 0.78 BTK (0.46) TGM2BTKEGFR
SCHEMBL15356556 0.78 ITK (0.43) TGM2F13A1LMNATGM1TGM3
SCHEMBL16634519 0.78 TGM2 (0.44) TGM2F13A1LMNATGM1TGM3
SCHEMBL15359415 0.77 TGM2 (0.41) TGM2F13A1LMNATGM1TGM3
SCHEMBL28900078 0.75 TTR (0.45) TGM2F13A1LMNATGM1TGM3
SCHEMBL16634504 0.75 ALDH1A1 (0.44) TGM2F13A1LMNATGM1TGM3
SCHEMBL28900184 0.75 TGM2 (0.44) TGM2F13A1LMNATGM1TGM3
SCHEMBL30935269 0.74 BTK (0.47) TGM2BTKJAK2JAK3

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-7988685-B2 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20040248326-A1 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-12-09 US disclosed
WO-2003051286-A2 HYDROGEL COMPOSITIONS, DEVICES, AND MICROSCALE COMPONENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-06-26 WO disclosed