SCHEMBL25789256

SCHEMBL25789256

N#Cc1cc(C#N)cc(-c2cc(-c3cc(C#N)cc(C#N)c3)cc(C3(c4cc(-c5cc(C#N)cc(C#N)c5)cc(-c5cc(C#N)cc(C#N)c5)c4)c4ccccc4-c4ccccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDK2 Q15119 3/20 0.42
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ GRM5 P41594 2/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ PGR P06401 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ METAP2 P50579 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
SCHEMBL1168040 0.90 MEN1 (0.50) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12879499 0.90 ESR1 (0.43) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12879500 0.90 PGR (0.42) PDK2GRM5PGR
SCHEMBL12879492 0.89 PDK2 (0.54) PDK2ADRA2CPGRMAOBCHEK1
SCHEMBL2606036 0.89 PDK2 (0.52) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12864211 0.88 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL14665233 0.82 ESR1 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12864208 0.80 PGR (0.37) PDK2ESR1ESR2GRM5PGR
SCHEMBL12864209 0.80 PGR (0.37) PDK2GRM5PGR
SCHEMBL12879931 0.80 PDK2 (0.41) KDM4EMEN1LMNAMAPTOPRK1

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-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
Send feedback