SCHEMBL25318683

SCHEMBL25318683

COCCCNC(=O)c1ccc(Cn2c(Sc3ccc(Br)cc3)nc3ccncc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.82
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 4/20 0.52
MAPT P10636 3/20 0.51

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
SCHEMBL25902003 0.90 NLRP3 (1.00) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25316426 0.90 NLRP3 (0.83) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25319934 0.84 NLRP3 (0.89) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25318867 0.82 NLRP3 (0.86) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25319719 0.82 NLRP3 (0.86) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25319825 0.82 NLRP3 (0.86) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25316885 0.82 NLRP3 (0.82) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25317965 0.82 NLRP3 (0.85) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL25318169 0.82 NLRP3 (0.94) NLRP3SMN1; SMN2MAPT
SCHEMBL25320335 0.82 NLRP3 (1.00) NLRP3TP53MAPT

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 3 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
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