SCHEMBL26250382

SCHEMBL26250382

O[C@@H]1C[C@@H](Oc2cc(NC3CCC3)ncn2)C[C@H]1N1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 5/20 0.48
▸ UBA3 Q8TBC4 5/20 0.48
▸ SLC18A3 Q16572 1/20 0.43
▸ PRMT5 O14744 11/20 0.41
▸ WDR77 Q9BQA1 10/20 0.41

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
SCHEMBL25387099 1.00 NAE1 (0.48) NAE1UBA3SLC18A3PRMT5WDR77
SCHEMBL31153390 0.89 PRMT5 (0.56) NAE1UBA3PRMT5WDR77
SCHEMBL26247973 0.89 PRMT5 (0.56) NAE1UBA3PRMT5WDR77
SCHEMBL25387881 0.89 PRMT5 (0.56) NAE1UBA3PRMT5WDR77
SCHEMBL25387486 0.85 PRMT5 (0.41) NAE1UBA3PRMT5WDR77
SCHEMBL26250482 0.85 PRMT5 (0.41) NAE1UBA3PRMT5WDR77
SCHEMBL25387714 0.79 PRMT5 (0.50) PRMT5WDR77
SCHEMBL29501464 0.78 PRMT5 (0.50) SLC18A3PRMT5WDR77
SCHEMBL30493033 0.77 PRMT5 (0.48) PRMT5WDR77
SCHEMBL25388262 0.77 PRMT5 (0.48) PRMT5WDR77

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
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 — — EP disclosed
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