SCHEMBL29318369

SCHEMBL29318369

CNc1ncnc2c1ncn2C1CCC(CO)O1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ADORA3 P0DMS8 3/20 0.54
▸ AHCY P23526 2/20 0.54
▸ ABL1 P00519 1/20 0.52
▸ RIN1 Q13671 1/20 0.52

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
SCHEMBL2041441 1.00 YTHDC1 (0.59) YTHDC1ALDH1A1LMNAALBMAPK1
Phenol SCHEMBL27699602 0.92 ABL1 (0.52) YTHDC1ALDH1A1LMNAALBMAPK1
SCHEMBL18410858 0.89 YTHDC1 (0.60) YTHDC1ADORA3AHCY
SCHEMBL2036287 0.88 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL20419240 0.88 ALDH1A1 (0.57) ALDH1A1LMNAALBMAPK1ABL1
SCHEMBL22524099 0.88 YTHDC1 (0.59) YTHDC1ADORA3AHCY
SCHEMBL23982425 0.87 ABL1 (0.66) ABL1RIN1
SCHEMBL21138875 0.86 YTHDC1 (0.56) YTHDC1ADORA3AHCY
SCHEMBL21082466 0.86 YTHDC1 (0.56) YTHDC1ADORA3AHCY
SCHEMBL22452225 0.85 TSHR (0.64) ADORA3

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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