SCHEMBL20016830

SCHEMBL20016830

c1cncc(-n2c3ccccc3c3cc(-c4ccc5cc6c(cc5c4)-c4ccc(-c5ccc7c8cc(-c9ccc%10cc%11c(cc%10c9)-c9cccc%10cccc-%11c9%10)ccc8n(-c8ccncc8)c7c5)c5cccc-6c45)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP11B1 P15538 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ METAP2 P50579 3/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ MAPK9 P45984 2/20 0.31
▸ MAPK10 P53779 2/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL20016832 0.94 MAPT (0.36) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16485286 0.89 MAPK1 (0.42) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16485257 0.88 GFER (0.41) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16485288 0.86 ALDH1A1 (0.41) MAPK1HSD17B10MAPTCYP11B1CYP17A1
SCHEMBL16484766 0.85 GFER (0.43) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16485260 0.85 ALDH1A1 (0.36) MAPK1HSD17B10MAPTMAPK9MAPK10
SCHEMBL20016847 0.84 MAPT (0.37) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16996596 0.83 KDM4E (0.40) MAPK1MAPTNPSR1ALDH1A1NPY5R
SCHEMBL17132462 0.83 MAPK1 (0.43) MAPK1HSD17B10GAAMAPTHTT
SCHEMBL16484741 0.83 GFER (0.39) MAPK1HSD17B10GAAMAPTHTT

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
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
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