SCHEMBL31411609

SCHEMBL31411609

COC(=O)c1ccc2c(c1)N(Cc1ccc3occc3c1)C(=O)CS2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL31411544 0.93 SMN1; SMN2 (0.48) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411673 0.88 MAPT (0.53) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411740 0.82 POLB (0.58) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411598 0.82 KCNN4 (0.41) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL21972975 0.81 ALDH1A1 (0.64) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL29978554 0.81 ALDH1A1 (0.64) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411572 0.81 MAPT (0.48) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411783 0.80 ALDH1A1 (0.57) SMN1; SMN2POLBNPC1MAPTTP53
SCHEMBL31411654 0.80 ALDH1A1 (0.63) SMN1; SMN2POLBNPC1MAPTALDH1A1
SCHEMBL8551997 0.78 POLB (0.70) SMN1; SMN2POLBNPC1MAPTTP53

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