SCHEMBL18923641

SCHEMBL18923641

C=C1CC[C@H]2C(CN3CCN(C)CC3)C(=O)O[C@@H]2[C@@H]2[C@H]1CC(=O)[C@]21CC[C@@](O)(CO)[C@@H]2[C@H]3OC(=O)C(CN4CCN(C)CC4)[C@@H]3CCC(=C)[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 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
SCHEMBL18923644 0.91 KMT2A (0.31) KMT2A
SCHEMBL18506554 0.90 — —
SCHEMBL18923697 0.86 — —
SCHEMBL18923565 0.85 — —
SCHEMBL18923567 0.82 — —
SCHEMBL18923679 0.82 — —
SCHEMBL18506486 0.78 KMT2A (0.34) KMT2A
SCHEMBL18501597 0.78 KMT2A (0.34) KMT2A
SCHEMBL18506448 0.77 KMT2A (0.35) KMT2A
SCHEMBL18923643 0.72 KMT2A (0.33) KMT2A

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
US-9670226-B2 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-06-06 — — US disclosed
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