SCHEMBL20923735

SCHEMBL20923735

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
STS P08842 1/20 0.36
FLT3 P36888 2/20 0.36
CYP19A1 P11511 1/20 0.35
XDH P47989 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
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
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL20924121 0.96 CYP11B1 (0.39) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20924100 0.95 CYP11B1 (0.40) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20923143 0.94 PTGER4 (0.37) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20923081 0.93 CYP11B1 (0.36) CYP11B1CYP11B2FLT3CYP19A1XDH
SCHEMBL20923766 0.92 CHEK1 (0.37) CYP11B1CYP11B2FLT3XDHLRRK2
SCHEMBL19909005 0.92 STS (0.38) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20924030 0.91 PDE10A (0.37) XDHFFAR4KDM4EPDE5ALMNA
SCHEMBL20923844 0.91 CYP11B1 (0.42) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20923836 0.90 CYP11B1 (0.39) CYP11B1CYP11B2STSFLT3CYP19A1
SCHEMBL20923191 0.89 AR (0.39) CYP11B1CYP11B2XDHFFAR4LRRK2

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