SCHEMBL22815230

SCHEMBL22815230

O=C1CC(S)C(=O)N1CCO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 2/20 0.35
CYP19A1 P11511 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19749316 0.87 CYP19A1 (0.39) ADAM17CYP19A1SMN1; SMN2
SCHEMBL20960393 0.82 CYP19A1 (0.50) ADAM17CYP19A1SMN1; SMN2
SCHEMBL18362386 0.80 CYP19A1 (0.38) ADAM17CYP19A1
SCHEMBL15474242 0.78 CYP19A1 (0.53) KDM4ECYP19A1SMN1; SMN2
SCHEMBL22610031 0.78 CYP19A1 (0.39) ADAM17CYP19A1SMN1; SMN2
SCHEMBL23038606 0.78 CYP19A1 (0.39) ADAM17CYP19A1SMN1; SMN2
SCHEMBL13329892 0.78 ALDH1A1 (0.38) ADAM17CYP19A1SMN1; SMN2
SCHEMBL18180516 0.78 ADAM17 (0.42) ADAM17BRD4CYP19A1
SCHEMBL16204453 0.78 ALDH1A1 (0.38) ADAM17KDM4ESMN1; SMN2
SCHEMBL25091333 0.77 CYP19A1 (0.54) CYP19A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983020-B1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B V (NL) 2024-06-26 EP disclosed
WO-2020256545-A1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed
WO-2020256546-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed