SCHEMBL20059981

SCHEMBL20059981

Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.35
TYR P14679 1/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
HSD11B1 P28845 1/20 0.33
KIF11 P52732 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31
KCNH2 Q12809 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
SCHEMBL19996361 0.90 TSHR (0.71) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL13322018 0.90 TSHR (0.71) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL16682899 0.90 TSHR (0.71) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL11994079 0.90 TSHR (0.71) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL15801366 0.85 TSHR (0.48) TSHRMAPTNPC1RAB9AALDH1A1
SCHEMBL13751266 0.84 TSHR (0.62) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL12027392 0.84 TSHR (0.62) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL21392014 0.84 TSHR (0.62) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL20059330 0.84 TSHR (0.62) TSHRMAPTNPC1RAB9AHCRTR2
SCHEMBL13751262 0.84 TSHR (0.62) TSHRMAPTNPC1RAB9AHCRTR2

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
EP-2728639-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ITS MANUFACTURING METHOD KONICA MINOLTA INC (JP) 2018-04-18 EP disclosed