SCHEMBL20309498

SCHEMBL20309498

O=c1[nH]cnc2c1ncn2C1O[C@H](C2CC2O)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.58
▸ P2RX3 P56373 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALB P02768 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TYMP P19971 3/20 0.52
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL31170758 0.83 P2RX3 (0.61) STING1P2RX3ALDH1A1LMNAALB
SCHEMBL28772469 0.81 STING1 (0.56) STING1P2RX3ALDH1A1LMNAALB
Inosine SCHEMBL6933022 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL13012212 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL13320592 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL12964365 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL16707275 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL13062153 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL6748953 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1
Inosine SCHEMBL18249508 0.79 PAX8 (0.69) P2RX3ALDH1A1LMNAALBMAPK1

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
EP-3052648-B1 MUTATION ANALYSIS USING MELTING TEMPERATURE AND UNIVERSAL BASES EPISTEM LTD (GB) 2018-06-27 — — EP disclosed
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