SCHEMBL25566903

SCHEMBL25566903

N#Cc1cc2c(cc1I)C1c3ccccc3C2c2cc(I)c(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRM4 Q14833 1/20 0.33
ADRA1A P35348 2/20 0.32
CSNK2A1 P68400 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
XDH P47989 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
SCHEMBL25566854 1.00 KDM4E (0.33) KDM4EGAAALDH1A1TSHRDYRK1A
SCHEMBL25566977 0.90 CHRNA1 (0.36) KDM4EGAAALDH1A1TSHRDYRK1A
SCHEMBL25567065 0.90 XDH (0.35) DYRK1AXDH
SCHEMBL25566981 0.90 XDH (0.35) DYRK1AXDH
SCHEMBL25567063 0.84 CHRNA1 (0.39) DYRK1AFLT1KDRFLT3CLK2
SCHEMBL25566982 0.84 CHRNA1 (0.39) DYRK1AFLT1KDRFLT3CLK2
SCHEMBL17449853 0.76 USP8 (0.46) KDM4EGAAALDH1A1TSHRADRA1A
SCHEMBL25567260 0.73 GRM4 (0.30) GRM4
SCHEMBL28646812 0.71 CA1 (0.53) KDM4EGAAALDH1A1TSHRDYRK1A
SCHEMBL21763267 0.71 TTR (0.42) TSHRDYRK1AGRM4CA1CA2

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-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed