SCHEMBL29956038

SCHEMBL29956038

C=CC(=O)Nc1ccc(CN)c(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.47
F13A1 P00488 2/20 0.44
TGM1 P22735 2/20 0.44
LMNA P02545 1/20 0.44
TGM3 Q08188 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
GSTO1 P78417 1/20 0.41
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
EGFR P00533 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL17685578 0.87 TGM2 (0.49) TGM2F13A1TGM1LMNATGM3
SCHEMBL17685582 0.83 EGFR (0.50) TGM2F13A1TGM1LMNATGM3
SCHEMBL29956621 0.82 ALDH1A1 (0.44)
SCHEMBL1369735 0.78 TGM2 (0.56) TGM2F13A1TGM1LMNATGM3
SCHEMBL12179308 0.76 TGM2 (0.54) TGM2F13A1TGM1LMNATGM3
SCHEMBL16634474 0.76 TGM2 (0.57) TGM2F13A1TGM1LMNATGM3
SCHEMBL17685580 0.75 TGM2 (0.49) TGM2F13A1TGM1LMNATGM3
SCHEMBL16653882 0.72 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL12179321 0.70 TGM2 (0.59) TGM2PRMT3CARM1PRMT6PRMT1
SCHEMBL439369 0.70 TGM2 (0.79) TGM2F13A1TGM1LMNATGM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed