SCHEMBL15161069

SCHEMBL15161069

Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cnccc5C)c4)c4ccccc34)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.42
CYP1A2 P05177 4/20 0.42
DHODH Q02127 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
ABL1 P00519 3/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
RPS6KA3 P51812 1/20 0.38
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
DYRK1A Q13627 2/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 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
SCHEMBL18174735 0.95 CYP17A1 (0.44) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15160916 0.92 DHODH (0.46) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15161052 0.90 RPS6KA3 (0.38) CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3
SCHEMBL18174724 0.88 CYP17A1 (0.51) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15161107 0.87 CYP17A1 (0.51) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL18174791 0.86 DHODH (0.41) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15160987 0.86 CYP2A6 (0.41) CYP11B1CYP11B2PRMT5WDR77
SCHEMBL15161047 0.86 CYP11B2 (0.43) CYP11B1CYP11B2PRMT5WDR77
SCHEMBL18174711 0.85 GRM4 (0.37) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL18174740 0.85 MKNK1 (0.45) CYP17A1CYP1A2DHODHCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
WO-2013114941-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2013-08-08 WO disclosed