SCHEMBL31411679

SCHEMBL31411679

COC(=O)c1cc2c(s1)SCC(=O)N2Cc1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
HTR7 P34969 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL31411871 0.89 ALDH1A1 (0.40) PTGDR2POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6991944 0.85 KCNN4 (0.48) KCNN4POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL31411665 0.82 KCNN4 (0.42) KCNN4HTR7POLBSMN1; SMN2MAPT
SCHEMBL31411598 0.81 KCNN4 (0.41) KCNN4POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL31411715 0.81 ALDH1A1 (0.52) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL31411767 0.80 ALDH1A1 (0.52) KCNN4POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6996076 0.80 ALDH1A1 (0.41) KCNN4POLBSMN1; SMN2MAPTHPGD
SCHEMBL31411740 0.79 POLB (0.58) POLBSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL31411693 0.79 POLB (0.50) HTR7POLBSMN1; SMN2MAPTHPGD
SCHEMBL6989440 0.77 ALDH1A1 (0.50) KCNN4POLBSMN1; SMN2MAPTALDH1A1

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