SCHEMBL23485953

SCHEMBL23485953

O=[N+]([O-])c1ccc2nc3ccc(SN4CC(O)C4)cc3c(N3CC(O)C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.42
▸ RHOA P61586 1/20 0.41
▸ APP P05067 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HRAS P01112 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ELANE P08246 1/20 0.35

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
SCHEMBL23486011 0.81 KDM4E (0.32) ACHEALDH1A1
SCHEMBL23485749 0.80 SMN1; SMN2 (0.48) ACHERHOAALDH1A1HRASPOLB
SCHEMBL24995653 0.78 ACHE (0.42) ACHERHOAAPPBCHEALDH1A1
SCHEMBL4703887 0.65 ALDH1A1 (0.40) ALDH1A1POLBKMT2A
SCHEMBL7805673 0.64 ALDH1A1 (0.61) ALDH1A1POLBKMT2A
SCHEMBL3549925 0.62 MAPT (0.58) ALDH1A1POLBKMT2A
SCHEMBL19457391 0.61 HSP90AA1 (0.51) ALDH1A1KMT2A
SCHEMBL23485990 0.61 RAD52 (0.43) ACHEAPPBCHEALDH1A1POLB
SCHEMBL15272586 0.61 MAPT (0.60) ALDH1A1POLBKMT2A
SCHEMBL2367654 0.61 GUCY1B2 (0.62) RHOAALDH1A1POLBKMT2A

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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