SCHEMBL31229569

SCHEMBL31229569

O=C(NC1C=CS(=O)(=O)C1)c1cc2sc(C3=CCCCC3)cc2[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL31229581 0.81 LMNA (0.49) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229541 0.78 LMNA (0.40) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229566 0.78 LMNA (0.39) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL25148723 0.78 LMNA (0.44) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229571 0.78 MEN1 (0.41) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229507 0.77 LMNA (0.40) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229553 0.77 MEN1 (0.40) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229812 0.77 KDM4E (0.43) HSD17B1HSD17B2
SCHEMBL31229637 0.76 LMNA (0.40) JAK2TP53SMN1; SMN2LMNAMEN1
SCHEMBL31229761 0.74 ALDH1A1 (0.45) JAK2SMN1; SMN2LMNAMEN1KMT2A

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
WO-2024222866-A1 CYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-10-31 WO disclosed