SCHEMBL23485983

SCHEMBL23485983

N#Cc1ccc2nc3ccc(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc3c(NCCCCCCO)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ RAD52 P43351 2/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL23485986 0.91 MERTK (0.39) MERTKPOLBRAD52KDM1AKDR
SCHEMBL23458134 0.79 NQO2 (0.49) MERTKPOLBRAD52KDM1AKDR
SCHEMBL24994173 0.78 POLB (0.40) POLBRAD52ALDH1A1KDM4EMITF
SCHEMBL24994873 0.75 POLB (0.37) POLBRAD52ALDH1A1KDM4EGLA
SCHEMBL23485979 0.73 HPGD (0.51) MERTKPOLBRAD52ABCG2ALDH1A1
SCHEMBL23486017 0.70 POLB (0.39) POLBRAD52ALDH1A1KDM4EMITF
SCHEMBL23485753 0.67 POLB (0.36) POLBRAD52ALDH1A1KDM4EGLA
SCHEMBL23485752 0.67 POLB (0.36) POLBRAD52RAB9ATERT
SCHEMBL23485984 0.66 POLB (0.35) MERTKPOLBRAD52ALDH1A1KDM4E
SCHEMBL23961158 0.66 ALDH1A1 (0.49) MERTKALDH1A1KCNH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040324-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2023-02-09 — — US disclosed
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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