SCHEMBL21032848

SCHEMBL21032848

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3cccnc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.46
CYP11B1 P15538 5/20 0.46
CYP17A1 P05093 1/20 0.46
FLT3 P36888 2/20 0.40
ABCG2 Q9UNQ0 3/20 0.38
CYP19A1 P11511 2/20 0.38
XDH P47989 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
NEK1 Q96PY6 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL20937816 0.92 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL21032845 0.92 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL23347902 0.92 CYP11B2 (0.35) CYP11B2CYP11B1CYP17A1ABCG2CYP19A1
SCHEMBL21032847 0.92 CYP11B2 (0.50) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL23347798 0.91 CYP11B2 (0.37) CYP11B2CYP11B1CYP17A1ABCG2CYP19A1
SCHEMBL21032502 0.91 ABCG2 (0.37) CYP11B2CYP11B1FLT3ABCG2CYP19A1
SCHEMBL22242939 0.91 CYP1A2 (0.37) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL21032846 0.90 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL20937808 0.90 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL20613981 0.89 CYP1A2 (0.35) CYP11B2CYP11B1CYP17A1FLT3ABCG2

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
WO-2019101746-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-31 WO disclosed