SCHEMBL29093834

SCHEMBL29093834

C=CCCCn1c(=O)ncc2cccc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.39
▸ CNR2 P34972 12/20 0.37
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL29093818 0.84 LMNA (0.33) TLR8LMNAADORA2B
SCHEMBL29093824 0.84 SYK (0.33) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL29094008 0.78 TLR8 (0.37) TLR8SMN1; SMN2ALDH1A1KDM4EGLA
SCHEMBL29094002 0.76 PGR (0.38) TLR8KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29093854 0.76 ADORA2B (0.34) CNR2ALDH1A1ADORA2B
SCHEMBL29093823 0.76 NCOA1 (0.34) CNR2ADORA2B
SCHEMBL29093826 0.76 MEN1 (0.38) CNR2KMT2ASMN1; SMN2LMNAADORA2B
SCHEMBL29093821 0.74 KMT2A (0.43) CNR2KMT2ASMN1; SMN2BRD4ADORA2B
SCHEMBL29093861 0.74 BTK (0.40) TLR8KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29094003 0.71 ADORA2A (0.33) CNR2KMT2ASMN1; SMN2ALDH1A1BRD4

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-115572300-A Synthesis method of sulfonamide substituted polycyclic quinazolinone compound 江苏理工学院 2023-01-06 — — CN disclosed
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