SCHEMBL20924092

SCHEMBL20924092

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5ccncc5)c(C#N)cc4-c4ccccc4)c3c2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
STS P08842 1/20 0.36
FLT3 P36888 2/20 0.36
XDH P47989 1/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PIK3CA P42336 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20924090 0.97 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL20923834 0.96 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL20924122 0.93 FLT3 (0.38) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL20923546 0.92 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2FLT3MAPK13
SCHEMBL20923144 0.92 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL20923767 0.92 PIK3CA (0.40) CYP19A1CYP11B1CYP11B2FLT3MAPK13
SCHEMBL20923142 0.91 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL19909297 0.91 STS (0.38) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL22170341 0.90 FLT3 (0.40) CYP19A1CYP11B1CYP11B2STSFLT3
SCHEMBL20923146 0.90 GSK3A (0.39) CYP19A1PIK3CACYP1A2CYP2C9CYP2C19

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-3266772-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-24 EP disclosed