SCHEMBL9098113

SCHEMBL9098113

C[C@H](CNc1nc2ccccc2s1)N(C=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PCSK9 Q8NBP7 1/20 0.45
▸ NPC1 O15118 9/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADORA1 P30542 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ FFAR2 O15552 1/20 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
SCHEMBL9099211 0.79 ALDH1A1 (0.48) MAPK1HPGDNPC1RAB9AKMT2A
SCHEMBL9096830 0.79 ALDH1A1 (0.48) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL16259088 0.74 HPGD (0.64) MAPK1HPGDPCSK9NPC1RAB9A
SCHEMBL9098124 0.73 HDAC3 (0.55) MAPK1HPGDPCSK9NPC1RAB9A
SCHEMBL9098108 0.73 HDAC3 (0.55) MAPK1HPGDPCSK9NPC1RAB9A
Hydrochloric Acid SCHEMBL8906707 0.71 HPGD (0.59) MAPK1HPGDPCSK9NPC1RAB9A
Hydrochloric Acid SCHEMBL8906703 0.71 HPGD (0.59) MAPK1HPGDPCSK9NPC1RAB9A
SCHEMBL3463391 0.69 MAPK1 (0.51) MAPK1HPGDPCSK9NPC1RAB9A
SCHEMBL1435770 0.68 IDO1 (0.57) MAPK1HPGDNPC1RAB9AKMT2A
SCHEMBL1913774 0.67 NPC1 (0.61) MAPK1HPGDNPC1RAB9AKMT2A

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-5484774-A 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias NOVO NORDISK A/S (DK) 1996-01-16 — — US disclosed
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