SCHEMBL18174601

SCHEMBL18174601

Cc1cc(-c2c3ccccc3c(-c3ccc(-c4cccnc4)c(C)c3)c3cc(-c4ccc5ccccc5c4)ccc23)ccc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.56
CYP11B2 P19099 10/20 0.56
CYP19A1 P11511 5/20 0.56
CYP17A1 P05093 5/20 0.56
SLC2A1 P11166 1/20 0.47
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B1 P14061 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B2 P37059 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL18174593 0.92 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1CYP17A1SLC2A1
SCHEMBL15160968 0.90 SLC2A1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1SLC2A1
SCHEMBL18174611 0.88 SLC2A1 (0.49) CYP11B1CYP11B2CYP19A1CYP17A1SLC2A1
SCHEMBL10300977 0.87 CYP11B2 (0.73) CYP11B1CYP11B2CYP19A1CYP17A1CYP2C9
SCHEMBL18174559 0.87 SLC2A1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1SLC2A1
SCHEMBL10032212 0.87 CYP11B2 (0.58) CYP11B1CYP11B2CYP19A1CYP17A1SLC2A1
SCHEMBL18174585 0.86 MAPK9 (0.44) CYP11B1CYP11B2CYP19A1CYP17A1HSD17B1
SCHEMBL13827884 0.86 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1CYP17A1CYP2C9
SCHEMBL15977665 0.86 CYP11B2 (0.71) CYP11B1CYP11B2CYP19A1CYP17A1CYP2C9
SCHEMBL15160907 0.85 SLC2A1 (0.49) CYP11B1CYP11B2CYP17A1SLC2A1CYP2C9

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
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