SCHEMBL8975040

SCHEMBL8975040

OC[C@@H]1O[C@@H](n2cc(I)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 16/20 1.00
▸ LMNA P02545 2/20 0.67
▸ SLC29A1 Q99808 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ GLA P06280 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ NPY1R P25929 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ NPY2R P49146 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ THPO P40225 1/20 0.67

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
SCHEMBL8332497 1.00 ADK (1.00) ADKLMNASLC29A1ALDH1A1GLA
SCHEMBL8321598 0.91 ADK (0.84) ADKLMNASLC29A1ALDH1A1GLA
SCHEMBL8332893 0.88 ADK (1.00) ADKLMNAALDH1A1GLAPMP22
SCHEMBL8975073 0.86 ADK (1.00) ADK
SCHEMBL17800832 0.84 ADK (1.00) ADKSLC29A1
SCHEMBL31617931 0.84 ADK (1.00) ADKSLC29A1
SCHEMBL8524307 0.84 ADK (0.88) ADKLMNASLC29A1ALDH1A1GLA
SCHEMBL8330336 0.83 ADK (0.89) ADK
SCHEMBL8331350 0.82 ADK (0.69) ADKSLC29A1
SCHEMBL8329018 0.82 ADK (0.88) ADK

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-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
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