SCHEMBL25567930

SCHEMBL25567930

N#Cc1ccc(-c2cc3c(cc2C#N)C2c4cc(-c5ccc(C#N)cc5)c(C#N)cc4C24c2ccccc2C34)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
CYP11B2 P19099 5/20 0.32
CYP11B1 P15538 4/20 0.32
STS P08842 1/20 0.32
PGR P06401 1/20 0.31
ESR2 Q92731 1/20 0.31
SCN9A Q15858 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
SCHEMBL25567260 0.78 GRM4 (0.30)
SCHEMBL25569672 0.76 ADORA1 (0.41)
SCHEMBL25567824 0.76 STS (0.40) PDK2CYP11B2CYP11B1STSESR2
SCHEMBL25568072 0.73 ALOX5 (0.35)
SCHEMBL25568680 0.73 STS (0.44) CYP11B2CYP11B1STS
SCHEMBL25567820 0.69 STS (0.39) CYP11B2STS
SCHEMBL25568572 0.65 ALDH1A1 (0.42) ESR2
SCHEMBL28571074 0.63 ESR2 (0.68) CYP11B2STSESR2
SCHEMBL19917526 0.62 KIF11 (0.46) CYP11B2CYP11B1STS
SCHEMBL31463164 0.62 TSHR (0.57) PDK2CYP11B2ESR2

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