SCHEMBL29862950

SCHEMBL29862950

Nc1ccc2nc3ccc(S(=O)(=O)CCCO)cc3c(NCCCO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ RAD52 P43351 3/20 0.47
▸ CA2 P00918 5/20 0.41
▸ NQO2 P16083 2/20 0.41
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GSR P00390 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL23458203 1.00 POLB (0.47) POLBRAD52CA2NQO2RAB9A
SCHEMBL23458107 0.84 SMN1; SMN2 (0.53) POLBRAD52ALDH1A1LMNAHPGD
SCHEMBL24994173 0.81 POLB (0.40) POLBRAD52CA2RAB9AKDM4E
SCHEMBL23485837 0.80 POLB (0.41) POLBRAD52NQO2RAB9AKDM4E
SCHEMBL23486017 0.80 POLB (0.39) POLBRAD52CA2RAB9AKDM4E
SCHEMBL23485985 0.74 RAD52 (0.49) POLBRAD52CA2NQO2RAB9A
SCHEMBL23486012 0.73 POLB (0.44) POLBRAD52NQO2RAB9AKDM4E
SCHEMBL23458134 0.72 NQO2 (0.49) POLBRAD52NQO2RAB9AKDM4E
SCHEMBL23485838 0.72 RAD52 (0.46) POLBRAD52NQO2RAB9AKDM4E
SCHEMBL21828697 0.70 CA2 (0.46) POLBCA2GAAKMT2A

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
EP-4069784-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) 2022-10-12 — — EP disclosed
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