SCHEMBL31292071

SCHEMBL31292071

ON1CCN(c2ncc(-c3ccc4nc5n(c4c3)C(c3ccccc3)COC5)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.39
AOC3 Q16853 2/20 0.34
BRD4 O60885 4/20 0.33
RIPK1 Q13546 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HDAC6 Q9UBN7 4/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KCNH2 Q12809 1/20 0.32
MTOR P42345 1/20 0.31

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
SCHEMBL18150738 0.91 AOC3 (0.43) TNFAOC3KCNH2MTOR
SCHEMBL18150795 0.91 AOC3 (0.43) TNFAOC3KCNH2MTOR
SCHEMBL18151375 0.91 AOC3 (0.43) TNFAOC3KCNH2MTOR
SCHEMBL18153272 0.90 AOC3 (0.36) TNFAOC3BRD4RIPK1KCNH2
SCHEMBL18151071 0.90 AOC3 (0.36) TNFAOC3BRD4RIPK1KCNH2
SCHEMBL18153352 0.89 TNF (0.35) TNFAOC3BRD4CCNCCDK8
SCHEMBL18153231 0.88 TNF (0.37) TNFAOC3CCNCCDK8HDAC6
SCHEMBL18151037 0.88 TNF (0.37) TNFAOC3CCNCCDK8HDAC6
SCHEMBL18150884 0.88 TNF (0.37) TNFAOC3CCNCCDK8HDAC6
SCHEMBL18150926 0.88 ABL1 (0.34) TNFAOC3BRD4RIPK1CCNC

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-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed