SCHEMBL20924121

SCHEMBL20924121

Cc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccccc2c2ccc(-c3ccc(C#N)cc3C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
XDH P47989 2/20 0.37
STS P08842 1/20 0.36
FLT3 P36888 2/20 0.36
CYP19A1 P11511 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PTGER4 P35408 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PDE4B Q07343 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
SCHEMBL20923735 0.96 CYP11B1 (0.36) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20923844 0.95 CYP11B1 (0.42) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20923836 0.94 CYP11B1 (0.39) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20923820 0.93 CYP11B1 (0.37) CYP11B1CYP11B2XDHFLT3CYP19A1
SCHEMBL20923681 0.92 CHEK1 (0.37) CYP11B1CYP11B2XDHFLT3PTGER4
SCHEMBL19909005 0.92 STS (0.38) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20923723 0.91 TRPA1 (0.38) XDHSQORKDM4EPDE5ALMNA
SCHEMBL20924100 0.91 CYP11B1 (0.40) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20923143 0.90 PTGER4 (0.37) CYP11B1CYP11B2XDHSTSFLT3
SCHEMBL20924122 0.89 FLT3 (0.38) CYP11B1CYP11B2XDHSTSFLT3

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