SCHEMBL23486012

SCHEMBL23486012

Nc1ccc2nc3ccc([S+]([O-])N(CCO)CCO)cc3c(NCCCO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ RAD52 P43351 3/20 0.44
▸ NQO2 P16083 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TERT O14746 2/20 0.34
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL23485752 0.80 POLB (0.36) POLBRAD52RAB9AKMT2ANPC1
SCHEMBL23485838 0.76 RAD52 (0.46) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL23458203 0.73 POLB (0.47) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL29862950 0.73 POLB (0.47) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL23485985 0.72 RAD52 (0.49) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL23458134 0.70 NQO2 (0.49) POLBRAD52NQO2RAB9AKDM4E
SCHEMBL23485837 0.67 POLB (0.41) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL23485990 0.67 RAD52 (0.43) POLBRAD52NQO2RAB9AKMT2A
SCHEMBL3359485 0.63 POLB (1.00) POLBRAD52RAB9AKMT2ANPC1
SCHEMBL23486000 0.60 SMN1; SMN2 (0.57) POLBRAD52KMT2AALDH1A1LMNA

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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