SCHEMBL31411702

SCHEMBL31411702

O=C(Nc1c[nH]c2ccccc12)c1ccc2c(c1)N(Cc1ccc3occc3c1)C(=O)CS2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 3/20 0.45
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL31411590 0.95 MAPT (0.45) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411677 0.87 MAPT (0.57) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411719 0.86 MAPT (0.50) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411622 0.85 DHPS (0.35) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411828 0.85 MAPT (0.59) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411765 0.84 MAPT (0.56) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411735 0.82 ALDH1A1 (0.52) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411687 0.81 MAPT (0.38) MAPTLMNAALDH1A1TP53
SCHEMBL31411674 0.80 MAPT (0.50) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31411673 0.79 MAPT (0.53) MAPTPOLBLMNASMN1; SMN2ALDH1A1

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