SCHEMBL17461769

SCHEMBL17461769

C#CCNC(=O)CCCCC1SCC(N)C1N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.35
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ CTH P32929 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL17662502 0.85 FAAH (0.45) CA12CA1CA2CA9TDP1
SCHEMBL13449666 0.76 TDP1 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL14547041 0.76 PAOX (0.38) TDP1USP2ALDH1A1
SCHEMBL12185697 0.76 KMT2A (0.42) TDP1USP2ALDH1A1
SCHEMBL23223992 0.76 TDP1 (0.52) TDP1USP2ALDH1A1
SCHEMBL17883988 0.75 USP2 (0.35) CA12CA1CA2CA9TDP1
SCHEMBL9432728 0.75 TDP1 (0.48) TDP1ALDH1A1
SCHEMBL12841281 0.75 TDP1 (0.48) TDP1ALDH1A1
SCHEMBL9432732 0.75 TDP1 (0.48) TDP1ALDH1A1
SCHEMBL336514 0.75 TDP1 (0.48) TDP1ALDH1A1

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
US-9242010-B2 Living copolymer-protein/peptide hybrids for biomedical applications RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-01-26 — — US disclosed
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