SCHEMBL24158211

SCHEMBL24158211

CCNP(=O)(OCC1CCC(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.34
▸ POLRMT O00411 1/20 0.34
▸ RIPK1 Q13546 4/20 0.32
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL23047667 0.90 DOT1L (0.33) DOT1LPOLRMT
SCHEMBL22355532 0.87 BTN3A1 (0.34) DOT1LPOLRMTRIPK1
SCHEMBL23047641 0.87 CYP3A4 (0.37) RIPK1
SCHEMBL24058411 0.86 DOT1L (0.32) DOT1LPOLRMTRIPK1TNK2
SCHEMBL22355507 0.86 DOT1L (0.32) DOT1LPOLRMTRIPK1TNK2
SCHEMBL19504133 0.86 DOT1L (0.32) DOT1LPOLRMTRIPK1TNK2
SCHEMBL18666884 0.86 DOT1L (0.32) DOT1LPOLRMTRIPK1TNK2
SCHEMBL22393430 0.85 CYP3A4 (0.44) DOT1LRIPK1
SCHEMBL22393558 0.85 CYP3A4 (0.44) DOT1LRIPK1
SCHEMBL22355553 0.84 CYP3A4 (0.36) DOT1LPOLRMTRIPK1

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-3785717-B1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS GILEAD SCIENCES INC (US) 2022-01-05 — — EP disclosed
Send feedback