SCHEMBL16242266

SCHEMBL16242266

CO[C@H]1[C@@H](O)[C@H](n2cc(Cl)c3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.55
▸ DOT1L Q8TEK3 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ GALR3 O60755 1/20 0.55
▸ S1PR4 O95977 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ S1PR1 P21453 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ METTL3 Q86U44 2/20 0.54
▸ PRMT5 O14744 1/20 0.51

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
SCHEMBL20938332 0.87 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL6469886 0.87 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL28713523 0.82 METTL3 (0.60) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL29365731 0.82 METTL3 (0.60) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL23547979 0.80 ADORA3 (0.75) DOT1L
SCHEMBL3369124 0.80 ADORA3 (0.75) DOT1L
SCHEMBL21418864 0.80 ADORA3 (0.75) DOT1L
SCHEMBL1066939 0.80 ADORA3 (0.75) DOT1L
SCHEMBL16359953 0.80 ADORA3 (0.75) DOT1L
SCHEMBL29748808 0.80 ADORA3 (0.75) DOT1L

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-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 — — EP disclosed
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