SCHEMBL23099686

SCHEMBL23099686

CN(CC(=O)Nc1ccc(SCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
EP300 Q09472 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL23099650 0.87 KMT2A (0.47) KMT2AMEN1HTR2CSLC6A4KDM4E
SCHEMBL23092683 0.81 MEN1 (0.53) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL23099689 0.80 KMT2A (0.51) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL23092558 0.79 REN (0.43) KMT2AMEN1HTR2CSLC6A4KDM4E
SCHEMBL23092556 0.79 REN (0.43) KMT2AMEN1HTR2CSLC6A4KDM4E
SCHEMBL19112868 0.78 GAA (0.52) KMT2AKDM4EPOLBMAPTHTT
SCHEMBL23092452 0.77 SLC6A4 (0.48) KMT2AMEN1HTR2CSLC6A4KDM4E
SCHEMBL17572297 0.77 GAA (0.42) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL7499427 0.77 ALDH1A1 (0.56) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL23099712 0.77 MAPT (0.51) KMT2AMEN1KDM4EPOLBMAPT

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-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 WO disclosed