SCHEMBL23366504

SCHEMBL23366504

CC(C)N1CN(C(C)C)c2cc(OCCOCCOCCOCCN=[N+]=[N-])ccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 13/20 0.41
▸ KDM4E B2RXH2 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ MGMT P16455 1/20 0.32

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
SCHEMBL22179018 0.88 ADRB2 (0.36) ABCG2ESR1
SCHEMBL16525693 0.84 — —
SCHEMBL23366503 0.82 KDM4E (0.39) KDM4EHTTMAPK1TDP1
SCHEMBL23369257 0.80 ABCG2 (0.39) ABCG2KDM4EESR1HTTEGFR
SCHEMBL16525775 0.76 MAOA (0.40) —
SCHEMBL22366571 0.74 ABCG2 (0.46) ABCG2KDM4EMAPK1TDP1ABCB1
SCHEMBL23966170 0.73 CARM1 (0.37) —
SCHEMBL20341207 0.72 ABCG2 (0.46) ABCG2KDM4EESR1HTTMAPK1
SCHEMBL29292231 0.72 ABCG2 (0.34) ABCG2KDM4EESR1HTT
SCHEMBL15672739 0.72 ABCG2 (0.56) ABCG2

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-3821981-B1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2024-07-10 — — EP disclosed
EP-3821981-A1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2021-05-19 — — EP disclosed
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