SCHEMBL31411673

SCHEMBL31411673

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPC1 O15118 1/20 0.52
CYP3A4 P08684 1/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL31411572 0.93 MAPT (0.48) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411609 0.88 SMN1; SMN2 (0.54) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411544 0.81 SMN1; SMN2 (0.48) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL23768992 0.81 ALDH1A1 (0.71) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL29978848 0.81 ALDH1A1 (0.71) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411689 0.81 ALDH1A1 (0.56) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411794 0.80 ALDH1A1 (0.39) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411600 0.79 HPGD (0.61) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411587 0.78 MAPT (0.67) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411550 0.77 LMNA (0.58) MAPTPOLBALDH1A1CYP2C9CYP2C19

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