SCHEMBL25437992

SCHEMBL25437992

C[C@@H](C(=O)O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 3/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL25436911 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3967181 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL29299508 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL1165366 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL7744888 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL14100030 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL13223389 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL24220960 0.82 SLC6A9 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL1133814 0.82
SCHEMBL22345732 0.82 EPHX2 (0.40) ALDH1A1KDM4EPOLBLMNAGAA

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-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed