SCHEMBL31229541

SCHEMBL31229541

O=C(NC1C=CS(=O)(=O)C1)c1cc2sc(C3CCCCC3)cc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32
POLB P06746 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
SCHEMBL31229571 0.82 MEN1 (0.41) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL31229553 0.81 MEN1 (0.40) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL31229507 0.81 LMNA (0.40) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL31229637 0.80 LMNA (0.40) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL31229581 0.79 LMNA (0.49) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL25148693 0.78 MEN1 (0.42) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL31229569 0.78 JAK2 (0.37) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL25148721 0.77 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL25148716 0.77 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL25149422 0.77 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2JAK2

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