SCHEMBL23369257

SCHEMBL23369257

CC1=CCN(C(C)C)c2ccc(OCCOCCOCCOCCN=[N+]=[N-])cc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.39
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ EGFR P00533 2/20 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
SCHEMBL23366504 0.80 ABCG2 (0.41) ABCG2KDM4EHTTESR1EGFR
SCHEMBL15672720 0.70 ABCG2 (0.56) ABCG2
SCHEMBL15672739 0.70 ABCG2 (0.56) ABCG2
SCHEMBL22179018 0.69 ADRB2 (0.36) ABCG2ESR1
SCHEMBL20341207 0.68 ABCG2 (0.46) ABCG2KDM4EHTTESR1
SCHEMBL14113006 0.66 ABCG2 (0.49) ABCG2KDM4EESR1
SCHEMBL15532139 0.66 ABCG2 (0.49) ABCG2ESR1EGFR
SCHEMBL31031279 0.66 ABCG2 (0.45) ABCG2KDM4EEGFR
SCHEMBL23366502 0.65 ABCG2 (0.39) ABCG2KDM4EHTTEGFR
Iodide SCHEMBL22366562 0.65 ABCG2 (0.39) ABCG2KDM4EHTTEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3821982-B1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2024-07-10 — — EP disclosed
EP-3821982-A1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2021-05-19 — — EP disclosed
Send feedback