SCHEMBL21279059

SCHEMBL21279059

Cc1cc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)nc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CRHR1 P34998 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL21278845 0.94 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL21278829 0.91 STS (0.33) STSPRMT5WDR77FFAR4
SCHEMBL21279061 0.91 CHEK1 (0.37) CYP11B2
SCHEMBL21278798 0.88 STS (0.33) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL21278878 0.88 IRAK4 (0.32)
SCHEMBL19909096 0.88 STS (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL21279084 0.87 STS (0.32) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22563536 0.87 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943177 0.87 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL21279169 0.87 PDE10A (0.33) CRHR1

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
EP-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 EP disclosed