SCHEMBL21414136

SCHEMBL21414136

N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
PTGER4 P35408 1/20 0.36
RORC P51449 4/20 0.32
ENPP3 O14638 1/20 0.32
NR3C1 P04150 1/20 0.31
TRPA1 O75762 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL21414146 0.96 STS (0.38) STSPTGER4PRMT5WDR77
SCHEMBL21414154 0.94 STS (0.37) STSPTGER4ENPP3TRPA1PRMT5
SCHEMBL21546597 0.94 STS (0.37) STSPTGER4
SCHEMBL20617391 0.91 RXRA (0.34) STSPTGER4NR3C1XDH
SCHEMBL21546589 0.90 STS (0.37) STS
SCHEMBL21414150 0.90 PTGER4 (0.38) PTGER4RORCENPP3
SCHEMBL19919754 0.89 MYC (0.38) STSPTGER4CYP11B1CYP11B2
SCHEMBL21414137 0.89 STS (0.38) STSPRMT5WDR77
SCHEMBL19919765 0.89 STS (0.38) STSPTGER4PRMT5WDR77XDH
SCHEMBL25658761 0.88 PTGER4 (0.39) STSPTGER4RORCENPP3CYP11B1

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-3385264-B1 ORGANIC MOLECULES, IN PARTICULAR FOR THE APPLICATION IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-10-02 EP disclosed