SCHEMBL22454896

SCHEMBL22454896

N#Cc1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3cc(-c4cccnc4)ccc32)c(-n2c3ccccc3c3cc(-c4cccnc4)ccc32)c(-n2c3ccccc3c3cc(-c4cccnc4)ccc32)c(-n2c3ccccc3c3cc(-c4cccnc4)ccc32)c1-n1c2ccccc2c2cc(-c3cccnc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.55
CYP11B1 P15538 8/20 0.55
CYP17A1 P05093 2/20 0.55
FLT3 P36888 2/20 0.46
CYP19A1 P11511 3/20 0.42
NEK1 Q96PY6 1/20 0.42
NPY5R Q15761 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL22016727 0.92 CYP11B2 (0.52) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL23344041 0.89 CYP11B2 (0.52) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL23912005 0.88 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL22454865 0.86 FLT3 (0.41) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL31273140 0.86 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL22454866 0.86 PTGER4 (0.40) CYP19A1
SCHEMBL31273611 0.85 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL23343972 0.84 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL20620091 0.84 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL20619444 0.83 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1FLT3NEK1

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-2020189283-A1 CHARGE-TRANSPORTING COMPOUND AND MANUFACTURING METHOD THEREOF, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ETC. コニカミノルタ株式会社 2020-09-24 WO disclosed