SCHEMBL19343920

SCHEMBL19343920

CNc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.41
▸ BCHE P06276 1/20 0.38
▸ PTPN1 P18031 8/20 0.38
▸ CDC25B P30305 6/20 0.38
▸ HSPA5 P11021 1/20 0.37
▸ PTPN2 P17706 3/20 0.36
▸ PTPN6 P29350 2/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ TACR2 P21452 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL22570013 0.90 HTR1A (0.41) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL19101893 0.86 BCHE (0.40) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL29937871 0.85 HTR1A (0.43) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL17106820 0.85 HTR1A (0.43) HTR1ABCHEPTPN1CDC25BHSPA5
SCHEMBL17106818 0.85 HTR1A (0.43) HTR1ABCHEPTPN1CDC25BHSPA5
SCHEMBL29937393 0.85 HTR1A (0.43) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL25598746 0.85 HTR1A (0.43) HTR1ABCHEPTPN1CDC25BHSPA5
SCHEMBL17106778 0.85 HTR1A (0.41) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL22002160 0.85 HTR1A (0.41) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL29937697 0.85 HTR1A (0.41) HTR1ABCHEPTPN1CDC25BPTPN2

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-2017153186-A1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — WO disclosed
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