SCHEMBL25320076

SCHEMBL25320076

COCCCNC(=O)c1ccc(Cn2c(SCC3CCC3)nc3ccncc32)cc1

nearest known ligand 0.97

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.97
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 2/20 0.58
HPGD P15428 1/20 0.57

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
SCHEMBL25320475 0.98 NLRP3 (1.00) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL25320041 0.98 NLRP3 (1.00) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL25318169 0.97 NLRP3 (0.94) NLRP3SMN1; SMN2MAPT
SCHEMBL25902123 0.93 NLRP3 (0.91) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL25902128 0.89 NLRP3 (0.85) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL25902126 0.89 NLRP3 (0.84) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL31325528 0.88 NLRP3 (0.81) NLRP3MAPT
SCHEMBL25902137 0.88 NLRP3 (0.82) NLRP3SMN1; SMN2MAPTHPGD
SCHEMBL31325539 0.87 NLRP3 (0.81) NLRP3MAPT
SCHEMBL25319934 0.86 NLRP3 (0.89) NLRP3SMN1; SMN2MAPT

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-114349758-B Compound with mother nucleus of pyridoimidazole as well as preparation method and application thereof 中国药科大学 2023-12-15 CN disclosed
WO-2023137885-A1 COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND 中国药科大学 2023-07-27 WO disclosed
WO-2023137885-A1 COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND 中国药科大学 2023-07-27 WO disclosed
CN-114349758-A Compound with pyridine imidazole as parent nucleus and preparation method and application thereof 中国药科大学 2022-04-15 CN disclosed