SCHEMBL24377565

SCHEMBL24377565

CC1CN(S(C)(C)C)CCN1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
PKM P14618 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PKLR P30613 4/20 0.31

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
SCHEMBL25154266 0.89 TP53 (0.45) TP53PKMALDH1A1MEN1KMT2A
SCHEMBL356809 0.77 TP53 (0.45) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL799217 0.77 TP53 (0.45) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL799197 0.77 TP53 (0.45) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL16473537 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL25154319 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL18081092 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL356808 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL16473467 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA
SCHEMBL18080915 0.75 TP53 (0.44) TP53ALDH1A1KDM4ERECQLLMNA

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-2022086986-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2022-04-28 WO disclosed