Sugi Predict

Sugi Predict / Compounds / SCHEMBL30165236

SCHEMBL30165236

SCHEMBL30165236

C=CCOc1nc(C)cc(OC(C(N)=O)C23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ EPHX1 P07099 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ATM Q13315 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
SCHEMBL23908019 0.75 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1
SCHEMBL30165307 0.71 MAPT (0.38) MAPTEPHX1MEN1KMT2AKDM4E
SCHEMBL29686867 0.71 ADORA3 (0.38) MAPTEPHX1MEN1KMT2AKDM4E
SCHEMBL30165315 0.71 CNR2 (0.32) MAPTMEN1KMT2AALDH1A1
SCHEMBL30165252 0.68 PTGES (0.34) EPHX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30165226 0.68 ALDH1A1 (0.35) EPHX1MEN1KMT2AALDH1A1
SCHEMBL30165343 0.68 ADORA3 (0.37) EPHX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30165280 0.68 ADORA3 (0.38) MEN1KMT2ATP53
SCHEMBL30165234 0.68 ADORA3 (0.34) MEN1KMT2ATP53
SCHEMBL30165186 0.67 NPC1 (0.32) MAPTMEN1KMT2AALDH1A1

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