SCHEMBL21160082

SCHEMBL21160082

CCCN(CCC)C(=O)c1cc(C2=CN(c3ccc(C(=O)O)c(O)c3)NN2)nc(-c2cn(-c3ccc(C(=O)O)c(O)c3)nn2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NME4 O00746 1/20 0.34
▸ GCDH Q92947 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MIF P14174 11/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ MYC P01106 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ DUSP3 P51452 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
SCHEMBL22846286 0.89 NME4 (0.41) NME4GCDHSIRT5MIFKDM4A
SCHEMBL29531124 0.89 NME4 (0.41) NME4GCDHSIRT5MIFKDM4A
SCHEMBL21159880 0.85 NME4 (0.35) NME4GCDHSIRT5MIFMAPT
SCHEMBL22834275 0.84 NME4 (0.40) NME4GCDHSIRT5MIFMAPT
SCHEMBL29531028 0.83 NME4 (0.43) NME4GCDHSIRT5MIFKDM4A
SCHEMBL22846544 0.83 NME4 (0.43) NME4GCDHSIRT5MIFKDM4A
SCHEMBL21159879 0.82 KDM4A (0.37) NME4GCDHSIRT5MIFKDM4A
SCHEMBL21159791 0.82 STIM1 (0.40) MIF
SCHEMBL21160027 0.82 NME4 (0.37) NME4GCDHSIRT5MIFMAPT
SCHEMBL22846543 0.81 NME4 (0.44) NME4GCDHSIRT5MIF

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-2019135975-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS INC. (US) 2019-07-11 — — WO disclosed
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