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SCHEMBL30165265

SCHEMBL30165265

CSc1nc(CC(C)C)cc(OC(C(N)=O)C23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL30165226 0.86 ALDH1A1 (0.35) ALDH1A1EPHX1NPC1MEN1KMT2A
SCHEMBL30165343 0.85 ADORA3 (0.37) ALDH1A1EPHX1NPC1MEN1KMT2A
SCHEMBL29686867 0.84 ADORA3 (0.38) ALDH1A1EPHX1NPC1MEN1KMT2A
SCHEMBL30165252 0.84 PTGES (0.34) ALDH1A1EPHX1NPC1MEN1KMT2A
SCHEMBL30165214 0.81 ADORA3 (0.31) ALDH1A1EPHX1NPC1ADORA3ADORA2A
SCHEMBL30165322 0.81 EPHX1 (0.30) ALDH1A1EPHX1NPC1
SCHEMBL30165269 0.81 EPHX1 (0.31) ALDH1A1EPHX1NPC1
SCHEMBL30165280 0.81 ADORA3 (0.38) MEN1KMT2AADORA3ADORA2A
SCHEMBL30165308 0.81 EPHX1 (0.31) ALDH1A1EPHX1NPC1
SCHEMBL30165234 0.81 ADORA3 (0.34) MEN1KMT2AADORA3ADORA2A

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-4125845-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES Southern Research Institute (US) 2023-02-08 — — EP disclosed