SCHEMBL28369153

SCHEMBL28369153

CCC(O)(C(=O)O)[C@@H](O)c1cnc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LNPEP Q9UIQ6 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16795817 1.00 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2LNPEPSLC6A3ALDH1A1
SCHEMBL29015079 1.00 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2LNPEPSLC6A3ALDH1A1
SCHEMBL28364933 1.00 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2LNPEPSLC6A3ALDH1A1
SCHEMBL28365004 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2421920 0.70
SCHEMBL18169387 0.68 SLC22A12 (0.33) LNPEP
SCHEMBL29001067 0.67 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2SLC6A3ALDH1A1KMT2A
SCHEMBL15540185 0.67 AKR1B1 (0.37) LNPEPALDH1A1KMT2A
SCHEMBL15540563 0.67 AKR1B1 (0.37) LNPEPALDH1A1KMT2A
SCHEMBL28369015 0.67 AKR1B1 (0.37) LNPEPALDH1A1KMT2A

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
CN-106507667-B Sulfamate derivatives for the prevention or treatment of epilepsy 比皮艾思药物研发有限公司 2020-01-24 CN disclosed