SCHEMBL14679754

SCHEMBL14679754

CC(C)(C)c1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4ccc5[nH]c6ccccc6c5c4)c3)ccc1n2-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.56
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PPARG P37231 2/20 0.35
CNR1 P21554 1/20 0.34
SERPINE1 P05121 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ALK Q9UM73 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL263162 0.93 KIF11 (0.65) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL263281 0.91 KIF11 (0.65) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL262481 0.90 KIF11 (0.57) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL262911 0.89 KIF11 (0.57) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL15910239 0.89 KIF11 (0.72) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL263113 0.86 KIF11 (0.55) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL262899 0.86 KIF11 (0.57) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL263170 0.86 AHR (0.42) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL263331 0.85 KIF11 (0.58) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL22198425 0.85 KDM4E (0.41) KIF11GABRA1GABRG2GABRB3GABRA5

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-2555272-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-02-06 EP disclosed