Sugi Predict

Sugi Predict / Compounds / SCHEMBL28038837

SCHEMBL28038837

SCHEMBL28038837

CCCCCCN(C(=O)OC(C)(C)C)c1cc(C)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ELANE P08246 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL18423889 0.91 HTT (0.39) KDM4EHTTNPC1RAB9A
SCHEMBL18460879 0.85 ACHE (0.41) ALDH1A1
SCHEMBL18423356 0.83 HTT (0.46) KDM4EHTTALDH1A1
SCHEMBL18461554 0.81 BCHE (0.35) ALDH1A1
SCHEMBL28823423 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28039146 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28039137 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28038889 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL17101669 0.75 SMN1; SMN2 (0.39) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28823462 0.75 NCEH1 (0.41) KDM4EALDH1A1TP53NPC1JAK2

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
CN-104981249-A Antimicrobial compounds, their synthesis and applications thereof SEC DEP FOR HEALTH 2015-10-14 — — CN disclosed