SCHEMBL29525630

SCHEMBL29525630

O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 1.00
RIPK3 Q9Y572 18/20 1.00

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
SCHEMBL29526336 0.90 RIPK3 (0.81) RIPK1RIPK3
SCHEMBL29525067 0.87 RIPK3 (1.00) RIPK1RIPK3
SCHEMBL29525811 0.84 RIPK3 (0.87) RIPK1RIPK3
SCHEMBL30358255 0.83 RIPK1 (1.00) RIPK1RIPK3
SCHEMBL25412537 0.83 RIPK1 (1.00) RIPK1RIPK3
SCHEMBL29525629 0.83 RIPK1 (1.00) RIPK1RIPK3
SCHEMBL29025422 0.80 RIPK1 (0.93) RIPK1RIPK3
SCHEMBL29525426 0.79 RIPK3 (0.86) RIPK1RIPK3
SCHEMBL29525646 0.75 RIPK3 (0.62) RIPK1RIPK3
SCHEMBL2453065 0.74 BRAF (0.67) RIPK1RIPK3

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-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 CN disclosed