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Sugi Predict / Compounds / SCHEMBL28298480

SCHEMBL28298480

SCHEMBL28298480

Cc1nn(Cc2ccccc2)c(C)c1CN(C)CC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 6/20 1.00
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL28299958 0.94 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28298481 0.90 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28299917 0.89 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2993363 0.83 TLR4 (0.69) TLR4
SCHEMBL28298479 0.83 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310571 0.81 TLR4 (0.70) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310583 0.79 TLR4 (0.69) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310608 0.78 TLR4 (0.80) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15583665 0.78 TLR4 (0.80) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28299882 0.76 TLR4 (0.74) TLR4CYP1A2CYP2D6CYP2C9CYP2C19

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-109867662-B Carbazole beta-aminoalcohol derivative and preparation method and application thereof 南方医科大学 2020-08-14 — — CN disclosed
CN-109867662-A A kind of carbazole beta-alkamine analog derivative and its preparation method and application 南方医科大学 2019-06-11 — — CN disclosed