SCHEMBL23486017

SCHEMBL23486017

O=S(=O)(CCCO)c1ccc2nc3ccc(NC[C@H](O)[C@@H](O)[C@H](O)CCO)cc3c(NCCCO)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.39
▸ RAD52 P43351 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ TERT O14746 2/20 0.33
▸ CA2 P00918 1/20 0.32
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GSR P00390 2/20 0.31
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24994173 0.92 POLB (0.40) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL23485753 0.88 POLB (0.36) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL23485984 0.85 POLB (0.35) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL29862950 0.80 POLB (0.47) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL23458203 0.80 POLB (0.47) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL24994873 0.79 POLB (0.37) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL23485752 0.79 POLB (0.36) POLBRAD52TERTRAB9A
SCHEMBL23485986 0.79 MERTK (0.39) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL24994174 0.76 TERT (0.33) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL23458107 0.75 SMN1; SMN2 (0.53) POLBRAD52ALDH1A1LMNAHPGD

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
WO-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 — — WO disclosed
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