SCHEMBL27845487

SCHEMBL27845487

[c]1c2ccccc2c(-c2ccc3cc(-c4ccncc4)ccc3c2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
MAPK8 P45983 2/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP17A1 P05093 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 2/20 0.39
NOTUM Q6P988 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
DYRK1A Q13627 1/20 0.38
HTR6 P50406 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
CYP3A4 P08684 1/20 0.38
DHODH Q02127 1/20 0.38
CLK1 P49759 1/20 0.37
CHEK1 O14757 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL15453007 0.83 ESR1 (0.48) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL3745005 0.83 ESR1 (0.42) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL21295977 0.83 IMPDH2 (0.49) NOTUMCYP3A4IMPDH2
SCHEMBL27845491 0.82 ALOX5 (0.50) MAPK9MAPK10MAPK8HSD17B1HSD17B2
SCHEMBL13016040 0.82 NOTUM (0.52) MAPK9MAPK10MAPK8HSD17B1HSD17B2
SCHEMBL28806876 0.82 ALOX5 (0.44) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL10032635 0.81 IMPDH2 (0.43) MAPK9MAPK10MAPK8HSD17B1HSD17B2
SCHEMBL15077951 0.79 MAPK9 (0.50) MAPK9MAPK10MAPK8HSD17B1HSD17B2
SCHEMBL13015645 0.79 CYP17A1 (0.51) MAPK9MAPK10MAPK8HSD17B1HSD17B2
SCHEMBL15977682 0.79 MAPK9 (0.50) MAPK9MAPK10MAPK8HSD17B1HSD17B2

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
CN-102382042-A Anthracene derivant and organic electroluminescence element using same JNC KK 2012-03-21 CN disclosed