SCHEMBL31411751

SCHEMBL31411751

[N-]=[N+]=NC(=O)c1cc2c(s1)N(Cc1ccccc1)C(=O)CS2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
ALDH1A1 P00352 6/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31411650 0.84 GSK3A (0.54) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL31411669 0.79 SMN1; SMN2 (0.48) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL31411697 0.71 SIRT2 (0.39) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL7366310 0.66 TSHR (0.78) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL23768992 0.65 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19MAPTLMNA
SCHEMBL6993171 0.65 GSK3A (0.54) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL29978848 0.65 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19MAPTLMNA
SCHEMBL31411632 0.65 ALDH1A1 (0.57) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL31411752 0.65 ALDH1A1 (0.57) GSK3AGSK3BALDH1A1CYP2C9CYP2C19
SCHEMBL338442 0.65 GSK3A (1.00) GSK3AGSK3BALDH1A1MAPTLMNA

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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed