SCHEMBL28837381

SCHEMBL28837381

CCOC(=O)c1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 4/20 0.50
CDC25B P30305 3/20 0.50
CLEC4M Q9H2X3 1/20 0.50
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 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
SCHEMBL51892 0.87 TSHR (0.57) TSHRMAPTLMNAL3MBTL1MAOB
SCHEMBL29456921 0.87 TSHR (0.57) TSHRMAPTLMNAL3MBTL1MAOB
SCHEMBL9681229 0.86 MAPT (0.46) TSHRMAPTCLEC4MLMNAL3MBTL1
SCHEMBL14943815 0.85 LMNA (0.50) TSHRMAPTLMNAL3MBTL1GAA
SCHEMBL30254707 0.84 TSHR (0.53) TSHRMAPTCDC25BCLEC4MLMNA
SCHEMBL9456116 0.84 TSHR (0.53) TSHRMAPTCDC25BCLEC4MLMNA
SCHEMBL10727902 0.84 LMNA (0.46) TSHRMAPTCDC25BLMNAL3MBTL1
SCHEMBL27636711 0.83 TSHR (0.52) TSHRMAPTLMNAL3MBTL1GAA
SCHEMBL9332290 0.82 TSHR (0.39) TSHRMAPTLMNAL3MBTL1MAOB
SCHEMBL27617545 0.81 ALDH1A1 (0.44) MAPTLMNAL3MBTL1GAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728520-A Active energy ray-curable ink and image recording method 富士胶片株式会社 2022-07-08 CN disclosed
CN-114667324-A Active energy ray-curable ink, ink set, and image recording method 富士胶片株式会社 2022-06-24 CN disclosed