SCHEMBL31411693

SCHEMBL31411693

COC(=O)c1ccc2c(c1)SCC(=O)N2Cc1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR7 P34969 1/20 0.47
MAPT P10636 2/20 0.44
GSK3B P49841 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL31411740 0.92 POLB (0.58) POLBSMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL31411585 0.87 ALDH1A1 (0.48) POLBSMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL31411536 0.85 GSK3B (0.56) POLBSMN1; SMN2MAPTGSK3BALDH1A1
SCHEMBL31411575 0.82 SMN1; SMN2 (0.54) POLBSMN1; SMN2HTR7MAPTGSK3B
SCHEMBL31411544 0.81 SMN1; SMN2 (0.48) POLBSMN1; SMN2MAPTGSK3BNPC1
SCHEMBL31411631 0.81 ALDH1A1 (0.56) POLBSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL31411784 0.81 ALDH1A1 (0.56) POLBSMN1; SMN2MAPTGSK3BNPC1
SCHEMBL31411774 0.81 ALDH1A1 (0.56) POLBSMN1; SMN2MAPTGSK3BNPC1
SCHEMBL31411623 0.80 POLB (0.51) POLBSMN1; SMN2MAPTGSK3BNPC1
SCHEMBL31411738 0.80 POLB (0.51) POLBSMN1; SMN2MAPTGSK3BNPC1

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