SCHEMBL28234723

SCHEMBL28234723

CCCCn1nc(-c2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.55
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ NEK2 P51955 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40

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
SCHEMBL28233679 0.79 MAPT (0.56) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL28233776 0.73 TLR8 (0.45) TLR8LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL28614010 0.71 MAPT (0.51) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL27667670 0.71 TSHR (0.47) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL4421242 0.70 CHEK1 (0.44) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL27647109 0.70 TLR8 (0.55) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL27667678 0.70 TLR8 (0.55) TLR8MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9123032 0.69 CA1 (0.51) TLR8MAPTMEN1KMT2ALMNA
SCHEMBL2338357 0.68 POLB (0.49) KMT2APOLBALDH1A1KDM4E
SCHEMBL28233689 0.68 LMNA (0.57) MAPTMEN1KMT2ALMNAPOLB

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-108409663-A Microtubule inhibitors and its preparation method and application 四川大学 2018-08-17 — — CN disclosed
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