SCHEMBL30880258

SCHEMBL30880258

COC(=O)/C=C(\C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TSHR P16473 2/20 0.33
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL14225485 0.84 HCAR2 (0.53) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL15580368 0.80 TDP1 (0.33) ALOX15TDP1LMNABLMPMP22
SCHEMBL62213 0.79
SCHEMBL12923752 0.79 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL822962 0.79
SCHEMBL62212 0.79
SCHEMBL5953576 0.77 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10769985 0.77 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL20930481 0.77 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL599553 0.77 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2

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
WO-2024089421-A1 TETRAZOLE DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2024-05-02 WO disclosed