SCHEMBL11654958

SCHEMBL11654958

NC(=O)c1ncn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.52
▸ BCHE P06276 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ EIF4E P06730 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TOP1 P11387 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ PTPN1 P18031 7/20 0.46
▸ CDC25B P30305 7/20 0.46
▸ PTPN2 P17706 4/20 0.46
▸ PTPN6 P29350 3/20 0.46
▸ PTPN11 Q06124 3/20 0.46
▸ CDC25A P30304 2/20 0.46
▸ TP53 P04637 2/20 0.45

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
SCHEMBL7066230 0.90 LMNA (0.57) HTR1ABCHELMNASMN1; SMN2ALDH1A1
SCHEMBL6912407 0.75 LMNA (0.47) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL20473791 0.73 NT5E (0.52) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL18482843 0.73 NT5E (0.52) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL12300349 0.73 LMNA (0.47) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL26658233 0.73 TACR2 (0.44) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL6912924 0.71 LMNA (0.57) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL3898371 0.71 NT5E (0.54) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL15968116 0.71 NT5E (0.54) HTR1ABCHEPTPN1CDC25BPTPN2
SCHEMBL3898367 0.71 NT5E (0.54) 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
US-RE29835-E PHARMACEUTICAL ICN PHARMACEUTICALS (US) 1978-11-14 — — US disclosed
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