SCHEMBL31099097

SCHEMBL31099097

[2H]C([2H])([2H])c1ccc(CCC2(NCc3ccc(OC)cc3)CCN(C(=O)OC(C)(C)C)C2)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 4/20 0.37
KDM1A O60341 1/20 0.37
DGAT2 Q96PD7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
TLR9 Q9NR96 1/20 0.35
SLC2A1 P11166 1/20 0.34
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
ADAM17 P78536 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL31207273 1.00 LMNA (0.40) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31207253 0.88 EPHX2 (0.40) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31099103 0.88 EPHX2 (0.40) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31207240 0.80 LMNA (0.40) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31099109 0.80 LMNA (0.40) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31207239 0.79 LMNA (0.34) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31207250 0.79 LMNA (0.34) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL31099096 0.79 LMNA (0.34) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL27229519 0.77 MAPT (0.50) LMNAMAPTSMN1; SMN2TP53KDM1A
SCHEMBL28525675 0.74 LMNA (0.55) LMNAMAPTSMN1; SMN2TP53KDM1A

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-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed