SCHEMBL29063447

SCHEMBL29063447

CCC(C)c1sc(N)nc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.44
COPS5 Q92905 4/20 0.44
RCE1 Q9Y256 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
FBP1 P09467 1/20 0.37
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 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
SCHEMBL1096595 0.84 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL30567599 0.83 COPS5 (0.60) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL29063449 0.78 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL535765 0.74 L3MBTL1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2082444 0.74 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3066792 0.74 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3095838 0.72 FBP1 (0.66) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL11700337 0.72 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8071199 0.72 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL794531 0.72 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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
CN-116693467-B Thiazole amine MBL inhibitor and preparation method and application thereof 四川大学 2025-02-14 CN disclosed
CN-116693467-A Thiazole amine MBL inhibitor and preparation method and application thereof 四川大学 2023-09-05 CN disclosed
WO-2023160582-A1 THIAZOLAMINE MBL INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学 2023-08-31 WO disclosed