SCHEMBL23485752

SCHEMBL23485752

[O-][S+](c1ccc2nc3ccc(NCC(O)C(O)C(O)CCO)cc3c(NCCCO)c2c1)N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ TERT O14746 2/20 0.33
▸ NPC1 O15118 1/20 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

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
SCHEMBL23485753 0.81 POLB (0.36) POLBRAD52TERTNPC1SLC2A1
SCHEMBL23486012 0.80 POLB (0.44) POLBRAD52TERTNPC1SLC2A1
SCHEMBL23486017 0.79 POLB (0.39) POLBRAD52TERTRAB9A
SCHEMBL23485986 0.76 MERTK (0.39) POLBRAD52TERTRAB9A
SCHEMBL23485984 0.74 POLB (0.35) POLBRAD52TERT
SCHEMBL24994873 0.73 POLB (0.37) POLBRAD52TERTNPC1SLC2A1
SCHEMBL24994173 0.70 POLB (0.40) POLBRAD52TERTRAB9AKMT2A
SCHEMBL23485983 0.67 MERTK (0.39) POLBRAD52TERTRAB9A
SCHEMBL24994174 0.65 TERT (0.33) POLBRAD52TERTKMT2A
SCHEMBL23485838 0.59 RAD52 (0.46) POLBRAD52TERTNPC1SLC2A1

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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