SCHEMBL9244286

SCHEMBL9244286

CCC(N)CCCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ AR P10275 7/20 0.36
▸ IGLV6-57 P01721 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GRK6 P43250 1/20 0.35
▸ SRC P12931 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL5567066 0.83 KDM4E (0.75) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL29394268 0.82 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL14321770 0.82 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL437558 0.82 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL12208991 0.81 KDM4E (0.78) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL29421583 0.81 KDM4E (1.00) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL436768 0.81 KDM4E (1.00) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL29421600 0.80 KDM4E (0.80) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL3075296 0.80 KDM4E (0.80) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL3780116 0.79 KDM4E (0.68) KDM4ETDP1ARIGLV6-57ALDH1A1

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-2027453-B1 NONSEPARATION ASSAY METHODS BECKMAN COULTER INC (US) 2017-03-15 — — EP claimed
US-5380650-A Enhanced luminescent assay BRITISH TECHNOLOGY GROUP LTD. (GB) 1995-01-10 — — US disclosed
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