SCHEMBL8102669

SCHEMBL8102669

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 1.00
▸ ADORA2B P29275 5/20 1.00
▸ HSP90B1 P14625 5/20 1.00
▸ ADORA2A P29274 4/20 1.00
▸ ADORA1 P30542 4/20 1.00
▸ TSHR P16473 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ RXFP1 Q9HBX9 1/20 1.00
▸ HRH1 P35367 1/20 1.00
▸ TMEM97 Q5BJF2 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ HSP90AA1 P07900 4/20 0.92
▸ METTL3 Q86U44 1/20 0.85
▸ METTL14 Q9HCE5 1/20 0.85
▸ LMNA P02545 1/20 0.75
▸ THRB P10828 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ AHCY P23526 1/20 0.75

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
SCHEMBL30101819 1.00 ADORA3 (1.00) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL8373480 0.88 ADORA3 (0.85) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL12119006 0.86 ADORA3 (1.00) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL10001413 0.86 ADORA3 (1.00) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL10456383 0.85 ADORA3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL1951157 0.85 ADORA3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL12359638 0.85 ADORA3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL10455251 0.85 ADORA3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL13473622 0.85 ADORA3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1
SCHEMBL25047783 0.84 METTL3 (0.73) ADORA3ADORA2BHSP90B1ADORA2AADORA1

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-2024126604-A1 PROCESS FOR PREPARING A COSMETIC ARTICLE AND COSMETIC ARTICLE THAT IS ADAPTABLE TO THE SHAPE OF THE FACE, NECK AND/OR NECKLINE AND CHARGED WITH HYDROPHILIC ACTIVE AGENT L'OREAL (FR) 2024-06-20 — — WO disclosed
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 — — EP disclosed
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