SCHEMBL29214486

SCHEMBL29214486

CCOC(=O)CC(c1ccccn1)[S+]([O-])C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 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
SCHEMBL18640937 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL31362647 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL313449 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL5929583 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL1051991 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL1077616 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7321879 0.74 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL5742023 0.74 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL22763608 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL22473297 0.72 FAAH (0.39) SMN1; SMN2MEN1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122055144-A Compounds and methods for treating cancer 维瓦斯治疗公司 2026-05-15 CN disclosed
CN-114072207-B Bicyclic compounds 维瓦斯治疗公司 2024-03-29 CN disclosed