SCHEMBL28959019

SCHEMBL28959019

c1cc2ccc3ccc(Nc4cccc5c4[nH]c4ccccc45)c4ccc(c1)c2c34

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.54
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
MAPT P10636 3/20 0.43
JAK2 O60674 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL28887348 0.85 KIF11 (0.62) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28887355 0.84 KIF11 (0.59) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9490444 0.82 KIF11 (0.59) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28887325 0.79 KIF11 (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL2837800 0.79 ALDH1A1 (0.58) MAPTTP53ALDH1A1HPGDKDM4E
SCHEMBL28494240 0.77 KIF11 (0.48) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL22189182 0.76 BCHE (0.55) KIF11MAPTJAK2TP53HTT
SCHEMBL27717804 0.76 KIF11 (0.57) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL31376352 0.75 KIF11 (0.61) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL15055559 0.75 KIF11 (0.70) KIF11GABRPGABRDGABRA1GABRB1

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-115336026-A Organic electroluminescent element 日铁化学材料株式会社 2022-11-11 CN disclosed