SCHEMBL21686489

SCHEMBL21686489

Oc1cc(O)c(/N=N/c2ccc(N(Cc3ccccn3)Cc3ccccn3)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.45
KCNH2 Q12809 9/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
BRD4 O60885 2/20 0.38
CHRNA7 P36544 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
RIOK2 Q9BVS4 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL21686490 0.86 KCNH2 (0.39) PDK1KCNH2NR1H2NR1H3BRD4
SCHEMBL21686442 0.84 PDK1 (0.42) PDK1KCNH2NR1H2NR1H3CHRNA7
SCHEMBL21686491 0.84 EGFR (0.51) KCNH2NR1H2NR1H3L3MBTL1RIOK2
SCHEMBL21686643 0.81 PDK1 (0.38) PDK1KCNH2BRD4CHRNA7L3MBTL1
SCHEMBL24279192 0.81 PDK1 (0.40) PDK1KCNH2CHRNA7MAPTSMN1; SMN2
SCHEMBL24282174 0.77 CHRNA7 (0.44) PDK1CHRNA7TSHRCYP2C19HIF1A
SCHEMBL21686606 0.76 GLO1 (0.42) KCNH2NR1H2NR1H3L3MBTL1MAOA
SCHEMBL21686488 0.73 MAPT (0.56) KCNH2NR1H2NR1H3CASP3SENP7
SCHEMBL21686464 0.73 MAPT (0.49) KCNH2NR1H2NR1H3CASP3SENP7
SCHEMBL24358410 0.72 PHLPP2 (0.58) KCNH2NR1H2NR1H3L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 EP disclosed
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