SCHEMBL20620089

SCHEMBL20620089

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2cccnc2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.51
CYP11B1 P15538 7/20 0.51
CYP17A1 P05093 1/20 0.51
CYP19A1 P11511 2/20 0.43
MAOA P21397 1/20 0.43
CHRNB2 P17787 3/20 0.40
CHRNA5 P30532 3/20 0.40
CHRNA4 P43681 3/20 0.40
FLT3 P36888 2/20 0.40
NPY5R Q15761 1/20 0.39
NEK1 Q96PY6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL20620091 0.95 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL20619436 0.92 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL23912073 0.89 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL20619438 0.88 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL20619444 0.88 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1MAOACHRNB2
SCHEMBL23912078 0.86 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1MAOAKDM4E
SCHEMBL20620088 0.86 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL20619578 0.86 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1MAOAKDM4E
SCHEMBL23912023 0.85 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1MAOA
SCHEMBL20620121 0.84 KIF11 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645522-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-10-13 EP disclosed
WO-2019002174-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 WO disclosed