SCHEMBL15801872

SCHEMBL15801872

c1ccc(-n2ccc3cc4c(ccc5c6ccccc6[nH]c45)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.50
▸ MPL P40238 4/20 0.49
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL15801875 0.96 KIF11 (0.49) KIF11MPLGABRPGABRDGABRA1
SCHEMBL15810966 0.85 KIF11 (0.49) KIF11MPLGABRPGABRDGABRA1
SCHEMBL15596388 0.83 AHR (0.50) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL15857167 0.82 GABRP (0.39) KIF11MPLGABRPGABRDGABRA1
SCHEMBL15213818 0.81 KIF11 (0.49) KIF11MPLGABRPGABRDGABRA1
SCHEMBL30636672 0.81 KIF11 (0.49) KIF11MPLGABRPGABRDGABRA1
SCHEMBL15801894 0.81 AHR (0.47) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL15801768 0.81 AHR (0.47) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL15200566 0.80 AHR (0.50) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL15801515 0.80 KIF11 (0.47) KIF11MPLGABRPGABRDGABRA1

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
WO-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO disclosed
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