SCHEMBL29210374

SCHEMBL29210374

O=C1OCCN1C(=O)c1ccc2nccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.57
▸ NAAA Q02083 5/20 0.53
▸ FAAH O00519 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GRIA3 P42263 1/20 0.40
▸ GRIA4 P48058 1/20 0.40

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
SCHEMBL29210364 0.84 NAAA (0.52) HPGDNAAAFAAH
SCHEMBL4527873 0.74 HPGD (0.97) HPGDALDH1A1GRIA3GRIA4
SCHEMBL29210386 0.73 HPGD (0.49) HPGDNAAAALDH1A1MAPTNPC1
SCHEMBL30983315 0.73 HPGD (0.49) HPGDNAAAALDH1A1MAPTNPC1
Cx516 SCHEMBL194605 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
Cx516 SCHEMBL31660971 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
SCHEMBL4532102 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
SCHEMBL4525058 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
Hydrochloric Acid SCHEMBL4560090 0.73 HPGD (0.94) HPGDALDH1A1GRIA3GRIA4
SCHEMBL11769070 0.72 POLB (0.64) HPGDNAAAFAAHALDH1A1

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
CN-117986245-A Detection reagent for metal alkoxide, preparation and application thereof 北京瑞博奥医药科技有限公司 2024-05-07 — — CN disclosed
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