SCHEMBL14313964

SCHEMBL14313964

C[C@H]1C[C@@H](CO)O[C@H]1n1cc(Cl)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.47
▸ METTL3 Q86U44 3/20 0.43
▸ DOT1L Q8TEK3 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ PRMT5 O14744 2/20 0.42
▸ SRC P12931 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
SCHEMBL20058772 0.89 ADK (0.61) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL10268710 0.89 ADK (0.61) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20938333 0.88 ADK (0.46) ADKMETTL3DOT1LNPC1GALR3
SCHEMBL14305600 0.87 ADK (0.60) ADKMETTL3
SCHEMBL14154378 0.87 ADK (0.60) ADKRAB9APRMT5
SCHEMBL12151806 0.87 ADK (0.47) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20059237 0.87 ADK (0.47) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14313959 0.85 ADK (0.62) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14544497 0.84 ADK (0.53) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL10266528 0.84 ADK (0.62) ADKMETTL3DOT1LNPC1GALR3

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-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 — — US disclosed
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