Sugi Predict

Sugi Predict / Compounds / SCHEMBL21686477

SCHEMBL21686477

SCHEMBL21686477

Nc1nc(/N=N/c2cc(Cl)c(O)cc2O)nc(N(Cc2ccccn2)C(Oc2cc(O)c(Cl)cc2/N=N/c2nc(N(Cc3ccccn3)Cc3ccccn3)nc(N(Cc3ccccn3)Cc3ccccn3)n2)c2ccccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 8/20 0.35
▸ PDK1 Q15118 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
SCHEMBL21686482 0.87 CHRNA7 (0.34) CHRNA7
SCHEMBL24282174 0.86 CHRNA7 (0.44) CHRNA7PDK1
SCHEMBL21686445 0.83 CHRNA7 (0.34) CHRNA7
SCHEMBL24279192 0.81 PDK1 (0.40) CHRNA7PDK1
SCHEMBL21686617 0.79 KDM4E (0.38) CHRNA7
SCHEMBL21686635 0.78 CHRNA7 (0.33) CHRNA7
SCHEMBL24279194 0.77 CHRNA7 (0.39) CHRNA7
SCHEMBL24282175 0.73 CHRNA7 (0.40) CHRNA7
SCHEMBL24279191 0.72 MAPT (0.34) CHRNA7PDK1
SCHEMBL24279208 0.69 CHRNA7 (0.41) CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11275071-B2 Sensor dyes for real-time sensing of metal ions in aqueous environments UWM RESEARCH FOUNDATION, INC. (US) 2022-03-15 — — US disclosed
US-20200033314-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS ADVANCED CHEMICAL SYSTEMS, INC. 2020-01-30 — — US disclosed