SCHEMBL20266312

SCHEMBL20266312

O[C@@H]1CC(n2cnc3c(NCc4ccccc4)ncnc32)O[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ ADORA3 P0DMS8 9/20 0.62
▸ SLC29A1 Q99808 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ TSHR P16473 1/20 0.58
▸ DNPH1 O43598 1/20 0.57
▸ PDE4A P27815 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4C Q08493 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ NR2F2 P24468 1/20 0.55

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
SCHEMBL17866042 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL2288114 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL2288108 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL21011278 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL23982158 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL23982135 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL14873532 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL27183207 0.89 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL17865918 0.84 SLC29A1 (0.62) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL27920452 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1

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-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 — — US disclosed
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