SCHEMBL14111441

SCHEMBL14111441

C[C@@]1(F)C(O)C(CO)O[C@H]1n1cc(/C=N/N)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ADK P55263 15/20 0.41
▸ DOT1L Q8TEK3 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL14111445 0.92 ADORA2A (0.46) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111561 0.90 ADORA2A (0.46) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14453194 0.89 ADORA2A (0.59) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111494 0.89 ADORA2A (0.47) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111443 0.88 ADORA2A (0.48) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111743 0.88 ADORA2A (0.48) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111745 0.88 ADORA2A (0.48) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111433 0.88 ADORA2A (0.48) ADORA2AADKDOT1LNPC1GALR3
SCHEMBL14111456 0.88 HIF1A (0.44) ADORA2AADKPAX8
SCHEMBL14111571 0.87 ADORA2A (0.45) ADORA2AADKDOT1LNPC1GALR3

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-7405204-B2 Nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. (US) 2008-07-29 — — US disclosed
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