SCHEMBL29138526

SCHEMBL29138526

COc1ccc(F)cc1CCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.48
SLC6A4 P31645 11/20 0.48
SLC6A3 Q01959 11/20 0.48
FDFT1 P37268 1/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL5655874 0.78 CA12 (0.53) KDM4EHTTMTNR1AMTNR1B
SCHEMBL29138541 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FDFT1SMN1; SMN2
SCHEMBL30669668 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FDFT1SMN1; SMN2
SCHEMBL7160649 0.78 AOC3 (0.48) SLC6A4KDM4ESMN1; SMN2
SCHEMBL19304392 0.76 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10415400 0.76 CA2 (0.52) KDM4ESMN1; SMN2HTT
SCHEMBL2689802 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FDFT1SMN1; SMN2
SCHEMBL8996459 0.76 FFAR4 (0.56) SLC6A2SLC6A4SLC6A3SMN1; SMN2MTNR1A
SCHEMBL14462255 0.75 SMN1; SMN2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2MTNR1A
SCHEMBL18894529 0.74 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; 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
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed