SCHEMBL9851039

SCHEMBL9851039

O=c1[nH]cnc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.52
▸ PNP P00491 11/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.34

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
SCHEMBL23456623 0.90 AHCY (0.64) AHCYPNPADORA3ALDH1A1LMNA
SCHEMBL9679570 0.81 AHCY (0.46) AHCYPNPADORA3P2RY12
SCHEMBL9679562 0.81 AHCY (0.46) AHCYPNPADORA3P2RY12
SCHEMBL9679135 0.80 AHCY (0.80) AHCYADORA3ADORA2B
SCHEMBL9679650 0.74 AHCY (0.47) AHCYADORA2BP2RY12
SCHEMBL9310418 0.72 ALDH1A1 (0.58) AHCYPNPADORA3ALDH1A1LMNA
SCHEMBL10647318 0.72 AHCY (0.46) AHCYPNPADORA3P2RY12
SCHEMBL28130881 0.72 AHCY (0.63) AHCYADORA3ALDH1A1LMNAALB
SCHEMBL11161954 0.72 AHCY (0.63) AHCYADORA3ALDH1A1LMNAALB
SCHEMBL21637039 0.72 TK1 (0.46) PNPALDH1A1LMNAALBMAPK1

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-0410660-A1 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-01-30 — — EP disclosed
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