SCHEMBL24995653

SCHEMBL24995653

O=[N+]([O-])c1ccc2nc3ccc(S(=O)(=O)N4CC(O)C4)cc3c(N3CC(O)C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.42
▸ GBA1 P04062 3/20 0.41
▸ APP P05067 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL23485836 0.83 PLAU (0.36) ALDH1A1
SCHEMBL24995591 0.80 SMN1; SMN2 (0.48) ACHEGBA1LMNARHOAALDH1A1
SCHEMBL23485953 0.78 ACHE (0.42) ACHEAPPBCHERHOAALDH1A1
SCHEMBL7530617 0.73 ALDH1A1 (0.52) ACHELMNAALDH1A1
SCHEMBL23485853 0.72 ADAM17 (0.32) LMNA
SCHEMBL24994845 0.70 PDE5A (0.33) LMNA
SCHEMBL21681939 0.66 SMN1; SMN2 (0.56) ACHELMNAALDH1A1
SCHEMBL11872736 0.65 ALDH1A1 (0.43) ACHEALDH1A1
SCHEMBL8818091 0.65 ALDH1A1 (0.54) ALDH1A1
SCHEMBL23485837 0.64 POLB (0.41) LMNAALDH1A1

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
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
Send feedback