SCHEMBL31411544

SCHEMBL31411544

COC(=O)c1ccc2c(c1)SCC(=O)N2Cc1ccc2occc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.44
GSK3B P49841 1/20 0.42
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 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
SCHEMBL31411609 0.93 SMN1; SMN2 (0.54) SMN1; SMN2POLBMAPTNPC1TP53
SCHEMBL31411572 0.88 MAPT (0.48) SMN1; SMN2POLBMAPTNPC1TP53
SCHEMBL31411693 0.81 POLB (0.50) SMN1; SMN2POLBMAPTNPC1GSK3B
SCHEMBL31411673 0.81 MAPT (0.53) SMN1; SMN2POLBMAPTNPC1TP53
SCHEMBL31411598 0.81 KCNN4 (0.41) SMN1; SMN2POLBMAPTNPC1GSK3B
SCHEMBL31411774 0.81 ALDH1A1 (0.56) SMN1; SMN2POLBMAPTNPC1GSK3B
SCHEMBL31411784 0.81 ALDH1A1 (0.56) SMN1; SMN2POLBMAPTNPC1GSK3B
SCHEMBL31411536 0.81 GSK3B (0.56) SMN1; SMN2POLBMAPTGSK3BTP53
SCHEMBL31411631 0.79 ALDH1A1 (0.56) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL31411575 0.78 SMN1; SMN2 (0.54) SMN1; SMN2POLBMAPTNPC1GSK3B

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