SCHEMBL23458107

SCHEMBL23458107

O=[N+]([O-])c1ccc2nc3ccc(S(=O)(=O)CCCO)cc3c(NCCCO)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ POLB P06746 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ RIPK1 Q13546 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ ACHE P22303 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DNMT1 P26358 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37

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
SCHEMBL29862950 0.84 POLB (0.47) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23458203 0.84 POLB (0.47) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23486000 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL24995591 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23458122 0.79 HPGD (0.53) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23485973 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23485979 0.77 HPGD (0.51) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23485855 0.76 HPGD (0.51) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL24994173 0.76 POLB (0.40) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23486017 0.75 POLB (0.39) SMN1; SMN2HPGDPOLBRAD52ALDH1A1

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 3 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
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
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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