SCHEMBL30455747

SCHEMBL30455747

CS(=O)(=O)OCC1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
HTR2C P28335 2/20 0.44
PDE4B Q07343 3/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL22235247 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4096075 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL653687 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL524206 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL524207 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL501192 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL372008 0.83 F13A1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16092969 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16379318 0.81 HTR2C (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL501030 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133989-A1 SMYD MODULATORS AND USES THEREOF ALT-BIO PTE. LTD. (SG) 2025-06-26 WO disclosed
EP-4434982-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2024-09-25 EP disclosed
CN-118414332-A (S) -2- (2-methylazetidin-1-yl) pyrimidine derivatives and pharmaceutical compositions containing the same 株式会社LG化学 2024-07-30 CN disclosed
WO-2023121378-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-06-29 WO disclosed