SCHEMBL11688219

SCHEMBL11688219

CN(C)C=Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.63
▸ PNP P00491 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL11688227 1.00 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL29738724 1.00 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL10022903 1.00 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL887520 1.00 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL20129803 1.00 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL17279176 0.88 HIF1A (0.48) HIF1A
SCHEMBL17231789 0.88 HIF1A (0.48) HIF1A
SCHEMBL20095278 0.88 HIF1A (0.48) HIF1A
SCHEMBL3764696 0.87 HIF1A (0.52) HIF1APNPLMNATP53HTT
SCHEMBL7661650 0.85 HIF1A (0.52) HIF1APNPLMNATP53HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901086-B Tobacco treatment 英美烟草(投资)有限公司 2024-05-31 — — CN disclosed
US-4056673-A VIRICIDE, ANTINEOPLASTIC HOFFMANN-LA ROCHE INC. (US) 1977-11-01 — — US disclosed
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