SCHEMBL24282174

SCHEMBL24282174

Nc1nc(/N=N/c2cc(Cl)c(O)cc2O)nc(N(Cc2ccccn2)Cc2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.44
PDK1 Q15118 1/20 0.38
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SYK P43405 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL24279192 0.93 PDK1 (0.40) CHRNA7PDK1TSHRCYP2C19HIF1A
SCHEMBL24279194 0.88 CHRNA7 (0.39) CHRNA7ADORA2AADORA1
SCHEMBL21686477 0.86 CHRNA7 (0.35) CHRNA7PDK1
SCHEMBL24282175 0.86 CHRNA7 (0.40) CHRNA7ADORA2AADORA1ESR1ESR2
SCHEMBL24279208 0.81 CHRNA7 (0.41) CHRNA7ADORA2AADORA1HSP90AA1
SCHEMBL21686442 0.81 PDK1 (0.42) CHRNA7PDK1TSHRCYP2C19HIF1A
SCHEMBL24279191 0.80 MAPT (0.34) CHRNA7PDK1ESR1ESR2
SCHEMBL21686440 0.78 CHRNA7 (0.36) CHRNA7ADORA2AADORA1HSP90AA1
SCHEMBL24282176 0.78 MEN1 (0.42) CHRNA7ESR1ESR2
SCHEMBL24358415 0.77 MAPT (0.51) CHRNA7ADORA2AHSP90AA1

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
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