SCHEMBL8913594

SCHEMBL8913594

O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)S1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA3 P0DMS8 4/20 0.54
▸ TYMP P19971 2/20 0.45
▸ STING1 Q86WV6 2/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ HPRT1 P00492 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41

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
SCHEMBL8912238 1.00 ALDH1A1 (0.54) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9445335 1.00 ALDH1A1 (0.54) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9386090 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL8913491 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL6517600 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL9386094 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL12642438 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL8913486 0.83 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL2914087 0.82 PAX8 (0.57) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL8709565 0.81 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US claimed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP claimed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP claimed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — WO claimed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP disclosed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP disclosed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — WO disclosed
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