SCHEMBL31411587

SCHEMBL31411587

O=C(O)c1ccc2c(c1)N(Cc1ccco1)C(=O)CS2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
POLB P06746 2/20 0.67
ALDH1A1 P00352 6/20 0.62
STING1 Q86WV6 1/20 0.57
LMNA P02545 3/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 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
SCHEMBL31411521 0.91 POLB (0.59) MAPTPOLBALDH1A1STING1LMNA
SCHEMBL31411654 0.87 ALDH1A1 (0.63) MAPTPOLBALDH1A1STING1CYP2C9
SCHEMBL29978848 0.82 ALDH1A1 (0.71) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL23768992 0.82 ALDH1A1 (0.71) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL18890869 0.81 MAPT (1.00) MAPTPOLBALDH1A1STING1LMNA
SCHEMBL31411570 0.81 ALDH1A1 (0.58) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL31411689 0.80 ALDH1A1 (0.56) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL21905649 0.79 MAPT (0.69) MAPTPOLBALDH1A1STING1LMNA
SCHEMBL31411673 0.78 MAPT (0.53) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL31411631 0.78 ALDH1A1 (0.56) MAPTPOLBALDH1A1STING1LMNA

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