SCHEMBL4564351

SCHEMBL4564351

C=CC(=O)Nc1nc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.40
F13A1 P00488 2/20 0.38
TGM1 P22735 2/20 0.38
LMNA P02545 1/20 0.38
TGM3 Q08188 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
EGFR P00533 2/20 0.36
GSTO1 P78417 1/20 0.36
MAP2K7 O14733 2/20 0.34
AURKA O14965 1/20 0.34
ITK Q08881 1/20 0.33
TEK Q02763 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
SCHEMBL2488646 0.75
SCHEMBL22030106 0.73 SMN1; SMN2 (0.38) LMNA
SCHEMBL7641546 0.72 TGM2 (0.50) TGM2F13A1TGM1LMNATGM3
SCHEMBL5931306 0.71 TGM2 (0.44) TGM2F13A1TGM1LMNATGM3
SCHEMBL4452979 0.71 TGM2 (0.46) TGM2F13A1TGM1LMNATGM3
SCHEMBL7963381 0.70 ADORA3 (0.45) LMNA
SCHEMBL10690735 0.70
SCHEMBL9792948 0.70 ALDH1A1 (0.33) LMNA
SCHEMBL28564782 0.68 TGM2 (0.52) TGM2F13A1TGM1LMNATGM3
SCHEMBL10575449 0.68 F2 (0.56)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595121-B2 Proton conductive polymer, catalyst composite, electrolyte membrane for fuel cell and fuel cell KABUSHIKI KAISHA TOSHIBA (JP) 2009-09-29 US disclosed
US-20050089741-A1 Proton conductive polymer, catalyst composite, electrolyte membrane for fuel cell and fuel cell KABUSHIKI KAISHA TOSHIBA (JP) 2005-04-28 US disclosed