SCHEMBL29189461

SCHEMBL29189461

Cn1c(=S)n(C)c(=O)n(-c2cc(C(=O)OC(=O)CN)c(Cl)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
GUSB P08236 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL7253181 0.84 GAA (0.37) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL25285902 0.83 BAZ2B (0.47) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL29195273 0.82 PPOX (0.43) GAALMNAMAPTHPGD
SCHEMBL7250626 0.81 LMNA (0.36) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL25425312 0.81 PPOX (0.41) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL4067527 0.80 NOTUM (0.36) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL31468720 0.80 TSHR (0.34) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL29195315 0.80 PPOX (0.44)
SCHEMBL24152007 0.80 CYP3A4 (0.36) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL31468719 0.78 BRD9 (0.33) MAPTHPGDSMN1; SMN2

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-117534629-A Triazinone compound and preparation method and application thereof 贵州大学 2024-02-09 CN disclosed