SCHEMBL30833253

SCHEMBL30833253

CCCn1ccnc1C(N)CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 2/20 0.33
PDE4A P27815 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE1C Q14123 1/20 0.33
LMNA P02545 1/20 0.33

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
Bromide SCHEMBL28864315 0.98 TLR8 (0.41) TLR8KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL28096522 0.90 ALDH1A1 (0.54) TLR8KMT2AALDH1A1POLBSMN1; SMN2
Bromide SCHEMBL28096069 0.88 ALDH1A1 (0.53) TLR8KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL31346586 0.84 ALDH1A1 (0.49) TLR8KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL28247432 0.82 ALDH1A1 (0.46) TLR8KMT2AALDH1A1POLBSMN1; SMN2
Sulfuric Acid SCHEMBL29275071 0.80 TLR8 (0.49) TLR8KMT2AALDH1A1POLBSMN1; SMN2
Alanine SCHEMBL31346583 0.80 SMN1; SMN2 (0.47) TLR8KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL15014467 0.79 SMN1; SMN2 (0.60) TLR8KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL27942970 0.79 L3MBTL1 (0.47) TLR8KMT2AALDH1A1POLBSMN1; SMN2
Cadaverine Tartrate SCHEMBL28180970 0.79 ARG1 (0.44) TLR8KMT2AALDH1A1POLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659013-A Benzoxazine modifier, high-temperature-resistant benzoxazine adhesive and preparation method thereof 上海大学绍兴研究院 2024-03-08 CN claimed
CN-117659013-A Benzoxazine modifier, high-temperature-resistant benzoxazine adhesive and preparation method thereof 上海大学绍兴研究院 2024-03-08 CN disclosed