SCHEMBL23485853

SCHEMBL23485853

O=S(=O)(c1ccc2nc3ccc(NC[C@H](O)[C@@H](O)[C@H](O)CCO)cc3c(N3CC(O)C3)c2c1)N1CC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ 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
SCHEMBL24994845 0.89 PDE5A (0.33) ADAM17JAK2JAK1RXFP1LMNA
SCHEMBL23485984 0.87 POLB (0.35) ADAM17JAK2JAK1RXFP1LMNA
SCHEMBL24994174 0.78 TERT (0.33) JAK2JAK1RXFP1LMNAPDE5A
SCHEMBL23485836 0.76 PLAU (0.36) MEN1KMT2A
SCHEMBL24995653 0.72 ACHE (0.42) LMNA
SCHEMBL23486017 0.71 POLB (0.39) LMNA
SCHEMBL23485753 0.69 POLB (0.36) KMT2A
SCHEMBL23485837 0.68 POLB (0.41) RXFP1LMNAKMT2A
SCHEMBL24995591 0.64 SMN1; SMN2 (0.48) LMNAMEN1KMT2A
SCHEMBL24994173 0.63 POLB (0.40) LMNAMEN1KMT2A

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
Send feedback