SCHEMBL28479441

SCHEMBL28479441

C1=CCCCC(N2CCCCCC=NCCC2)CCCCC1.C1=CCCCC(N2CCCCCC=NCCC2)CCCCC1.[Ru]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC18A3 Q16572 1/20 0.33
L3MBTL3 Q96JM7 7/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
HTR6 P50406 1/20 0.33
MBTD1 Q05BQ5 5/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PHGDH O43175 1/20 0.30
MGLL Q99685 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
SCHEMBL157635 0.98 KDM4E (0.34) KDM4ETDP1MEN1KMT2ASLC18A3
SCHEMBL157634 0.98 KDM4E (0.34) KDM4ETDP1MEN1KMT2ASLC18A3
Hydrochloric Acid SCHEMBL28987758 0.97 KDM4E (0.33) KDM4ETDP1MEN1KMT2ASLC18A3
Bromide SCHEMBL29250447 0.97 KDM4E (0.33) KDM4ETDP1MEN1KMT2ASLC18A3
Methyl Alcohol SCHEMBL28586250 0.94 KDM4E (0.35) KDM4ETDP1MEN1KMT2ASLC18A3
SCHEMBL27220553 0.93 KDM4E (0.35) KDM4ETDP1MEN1KMT2ASLC18A3
Methylene Chloride SCHEMBL29129857 0.92 KDM4E (0.34) KDM4ETDP1MEN1KMT2ASLC18A3
SCHEMBL20211606 0.92 L3MBTL3 (0.37) MEN1KMT2ASLC18A3L3MBTL3L3MBTL1
SCHEMBL19681394 0.92 L3MBTL3 (0.37) MEN1KMT2ASLC18A3L3MBTL3L3MBTL1
SCHEMBL3067974 0.90 L3MBTL3 (0.32) KDM4ETDP1L3MBTL3L3MBTL1MBTD1

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-109651598-B Ruthenium metal composite catalyst and application thereof 上海交通大学 2020-11-24 CN disclosed