SCHEMBL29152148

SCHEMBL29152148

CCN(CC)c1ccc2c(C)c(C[SeH])c(=O)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.76
KDM4E B2RXH2 7/20 0.76
GLA P06280 6/20 0.76
ATM Q13315 6/20 0.76
GAA P10253 2/20 0.76
KLK7 P49862 1/20 0.76
HTT P42858 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
CASP1 P29466 5/20 0.67
CASP7 P55210 5/20 0.67
HSD17B10 Q99714 5/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 2/20 0.67
THRB P10828 1/20 0.67
HPGD P15428 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
HIF1A Q16665 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL4390559 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EGLAATMGAA
SCHEMBL22501602 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EGLAATMGAA
SCHEMBL24590082 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EGLAATMGAA
SCHEMBL11296750 0.86 ALDH1A1 (0.78) ALDH1A1KDM4EGLAATMGAA
SCHEMBL22501658 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EGLAATMGAA
SCHEMBL24590330 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EGLAATMGAA
SCHEMBL24589380 0.84 ALDH1A1 (0.81) ALDH1A1KDM4EGLAATMGAA
SCHEMBL24589797 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EGLAATMGAA
SCHEMBL3763725 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EGLAATMGAA
SCHEMBL13731310 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EGLAATMGAA

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
CN-117164545-A Reversible fluorescent probe for detecting hypochlorous acid and preparation method and use method thereof 浙江理工大学 2023-12-05 CN claimed
CN-117164545-A Reversible fluorescent probe for detecting hypochlorous acid and preparation method and use method thereof 浙江理工大学 2023-12-05 CN disclosed