SCHEMBL31499308

SCHEMBL31499308

CC(=O)NCN1C=Cc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
NPSR1 Q6W5P4 3/20 0.36
BCHE P06276 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
SETDB1 Q15047 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL6254449 0.68 FOLH1 (0.41)
SCHEMBL7182054 0.67 P2RX4 (0.33) BCHEMAPK1NOX1
SCHEMBL28567968 0.66 GPR84 (0.31)
SCHEMBL28896768 0.65 MAOA (0.35)
SCHEMBL31499319 0.64 NOTUM (0.41) MTNR1AMTNR1BNPSR1MAPTNAMPT
Acetic Acid SCHEMBL11657200 0.62 NOX1 (0.47) BCHEGAAMAPTMAPK1L3MBTL1
SCHEMBL3017720 0.62
SCHEMBL25197006 0.61
SCHEMBL28782453 0.60 NPC1 (0.42) NPSR1BCHEGAAMAPTMAPK1
SCHEMBL9661765 0.59 SCN2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504645-A Method for synthesizing N- (acetamidomethyl) benzothiazine-4-ketone 常州大学 2025-02-25 CN claimed
CN-119504645-A Method for synthesizing N- (acetamidomethyl) benzothiazine-4-ketone 常州大学 2025-02-25 CN disclosed
CN-119504645-A Method for synthesizing N- (acetamidomethyl) benzothiazine-4-ketone 常州大学 2025-02-25 CN disclosed
CN-119504645-A Method for synthesizing N- (acetamidomethyl) benzothiazine-4-ketone 常州大学 2025-02-25 CN disclosed