SCHEMBL23745918

SCHEMBL23745918

C[C@H]1O[C@@H](n2cc(C(N)=S)c3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
ADK P55263 12/20 0.53
PRMT5 O14744 3/20 0.40
METTL3 Q86U44 3/20 0.40
CA2 P00918 2/20 0.39

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
SCHEMBL23743992 0.90 ADK (0.65) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23949985 0.85 ADK (0.49) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23744000 0.82 NPC1 (0.54) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23950074 0.76 ADK (0.59) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23943037 0.76 ADK (0.53) ADKPRMT5METTL3
SCHEMBL23743999 0.75 ADK (0.54) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23745928 0.75 ADK (0.54) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL24127868 0.75 ADK (0.54) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL23396436 0.74 AHCY (0.59) ALDH1A1
SCHEMBL20794222 0.74 AHCY (0.59) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021211757-A1 METHOD FOR TREATING ARENAVIRIDAE INFECTIONS OYAGEN, INC. (US) 2021-10-21 WO disclosed
WO-2021158701-A1 METHOD FOR TREATING CORONAVIRUS INFECTIONS OYAGEN, INC. (US) 2021-08-12 WO disclosed