SCHEMBL23485753

SCHEMBL23485753

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ TERT O14746 3/20 0.34
▸ VCAM1 P19320 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ ACR P10323 1/20 0.30
▸ BDKRB1 P46663 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
SCHEMBL24994873 0.92 POLB (0.37) POLBRAD52TERTVCAM1GAA
SCHEMBL23486017 0.88 POLB (0.39) POLBRAD52TERTGAAKDM4E
SCHEMBL23485984 0.82 POLB (0.35) POLBRAD52TERTGAAKDM4E
SCHEMBL23485752 0.81 POLB (0.36) POLBRAD52TERTNPC1SLC2A1
SCHEMBL24994173 0.79 POLB (0.40) POLBRAD52TERTGAAKDM4E
SCHEMBL23485986 0.76 MERTK (0.39) POLBRAD52TERTGAAKDM4E
SCHEMBL24994174 0.73 TERT (0.33) POLBRAD52TERTGAAKDM4E
SCHEMBL23485853 0.69 ADAM17 (0.32) KMT2A
SCHEMBL23458203 0.67 POLB (0.47) POLBRAD52TERTGAAKDM4E
SCHEMBL29862950 0.67 POLB (0.47) POLBRAD52TERTGAAKDM4E

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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