SCHEMBL20579724

SCHEMBL20579724

Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 15/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ TP53 P04637 1/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ ABCC4 O15439 1/20 0.77
▸ SLC28A3 Q9HAS3 1/20 0.77
▸ BLM P54132 1/20 0.77

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
SCHEMBL1322160 1.00 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL29784689 1.00 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL4351105 0.88 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL1321676 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL7617534 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL290702 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL29374837 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL6761745 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL31462888 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL20769890 0.83 SLC29A1 (0.71) SLC29A1CYP3A4LMNARAB9APKM

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-20180355369-A1 Method for Increasing Plant Stress Tolerance and Seed Dormancy THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2018-12-13 — — US disclosed
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