SCHEMBL25567927

SCHEMBL25567927

N#Cc1cc2c(cc1-c1cccc(-c3ccccc3)c1)C1c3ccccc3C2c2cc(-c3cccc(-c4ccccc4)c3)c(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA2 P47869 2/20 0.39
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MCL1 Q07820 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 3/20 0.36
CSNK2A1 P68400 1/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL25568999 0.90 GABRG2 (0.37) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL25568572 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1MCL1HPGD
SCHEMBL25567820 0.85 STS (0.39) CYP11B2GABRA1GABRG2GABRB3GRIN2B
SCHEMBL25567934 0.82 PLG (0.35) GABRA1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL25567694 0.82 MEN1 (0.40) GABRA1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL25567824 0.81 STS (0.40) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL25568074 0.80 ABCG2 (0.41) GABRA1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL25567624 0.79 ADRA2C (0.38) CYP11B2GABRA1GABRG2GABRB3GABRA2
SCHEMBL25569555 0.78 CSNK2A1 (0.48) GABRG2GABRB3ALDH1A1KDM4ENPSR1
SCHEMBL18411369 0.74 GABRG2 (0.54) CYP11B1CYP11B2GABRA1GABRG2GABRB3

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