SCHEMBL24994174

SCHEMBL24994174

C[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CNc1ccc2nc3ccc(S(=O)(=O)N4CC(O)C4)cc3c(NCCCO)c2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PDE5A O76074 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23485984 0.91 POLB (0.35) TERTPOLBRAD52RXFP1LMNA
SCHEMBL24994845 0.87 PDE5A (0.33) RXFP1LMNAPDE5AJAK2JAK1
SCHEMBL23485837 0.80 POLB (0.41) TERTPOLBRAD52RXFP1LMNA
SCHEMBL24994173 0.78 POLB (0.40) TERTPOLBRAD52LMNAKDM4E
SCHEMBL23485853 0.78 ADAM17 (0.32) RXFP1LMNAPDE5AJAK2JAK1
SCHEMBL24995591 0.76 SMN1; SMN2 (0.48) POLBRAD52LMNAALDH1A1KMT2A
SCHEMBL23486017 0.76 POLB (0.39) TERTPOLBRAD52LMNAKDM4E
SCHEMBL24994873 0.76 POLB (0.37) TERTPOLBRAD52KDM4EALDH1A1
SCHEMBL23485753 0.73 POLB (0.36) TERTPOLBRAD52KDM4EALDH1A1
SCHEMBL23485983 0.67 MERTK (0.39) TERTPOLBRAD52LMNAKDM4E

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
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