SCHEMBL25902156

SCHEMBL25902156

CCCC(=O)Nc1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.81
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.51
THRB P10828 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 3/20 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
SCHEMBL25902157 0.93 NLRP3 (0.84) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902235 0.90 NLRP3 (1.00) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902137 0.83 NLRP3 (0.82) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902140 0.83 NLRP3 (0.79) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902147 0.82 NLRP3 (0.80) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902128 0.82 NLRP3 (0.85) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902226 0.81 NLRP3 (0.73) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902153 0.81 NLRP3 (0.78) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902126 0.81 NLRP3 (0.84) NLRP3MAPTSMN1; SMN2HPGDTHRB
SCHEMBL25902237 0.79 NLRP3 (0.87) NLRP3SMN1; SMN2HPGDTHRBTP53

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
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