SCHEMBL17696488

SCHEMBL17696488

CCN(CC)c1ccc2c(-c3ccc([SH](=O)=O)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ BLM P54132 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ TDP1 Q9NUW8 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ FPR2 P25090 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL18680527 0.91 MEN1 (0.65) MEN1KMT2ABLMUSP2POLB
SCHEMBL12410862 0.87 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB
SCHEMBL18680528 0.85 MEN1 (0.62) MEN1KMT2ABLMUSP2POLB
SCHEMBL17695457 0.85 MEN1 (0.66) MEN1KMT2ABLMUSP2POLB
SCHEMBL15488854 0.84 MEN1 (0.57) MEN1KMT2ABLMUSP2POLB
SCHEMBL13932807 0.81 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB
SCHEMBL14901855 0.79 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB
SCHEMBL11964677 0.79 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB
SCHEMBL14046504 0.78 MEN1 (0.77) MEN1KMT2ABLMUSP2POLB
SCHEMBL12176171 0.78 MEN1 (0.62) MEN1KMT2ABLMUSP2POLB

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
WO-2016061555-A2 NOVEL SMALL MOLECULE ANTICANCER AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2016-04-21 — — WO disclosed
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