SCHEMBL25902240

SCHEMBL25902240

O=C(c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1)N1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.81
TP53 P04637 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.63
POLB P06746 2/20 0.63
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 1/20 0.59
THRB P10828 2/20 0.59

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
SCHEMBL25902237 0.93 NLRP3 (0.87) NLRP3TP53SMN1; SMN2POLBLMNA
SCHEMBL25902239 0.90 NLRP3 (1.00) NLRP3TP53SMN1; SMN2POLBLMNA
SCHEMBL25902153 0.85 NLRP3 (0.78) NLRP3TP53SMN1; SMN2POLBLMNA
SCHEMBL25902147 0.82 NLRP3 (0.80) NLRP3TP53SMN1; SMN2HPGDTHRB
SCHEMBL25902140 0.81 NLRP3 (0.79) NLRP3TP53SMN1; SMN2HPGDTHRB
SCHEMBL25902137 0.80 NLRP3 (0.82) NLRP3SMN1; SMN2HPGDTHRB
SCHEMBL25902226 0.80 NLRP3 (0.73) NLRP3TP53SMN1; SMN2POLBLMNA
SCHEMBL25902235 0.79 NLRP3 (1.00) NLRP3TP53SMN1; SMN2HPGDTHRB
SCHEMBL25902123 0.78 NLRP3 (0.91) NLRP3SMN1; SMN2HPGD
SCHEMBL25902128 0.78 NLRP3 (0.85) NLRP3SMN1; SMN2HPGDTHRB

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