SCHEMBL28482004

SCHEMBL28482004

Clc1ccc(I)c2[nH]c3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.50
GABRG2 P18507 5/20 0.50
GABRB3 P28472 5/20 0.50
GABRA5 P31644 5/20 0.50
GABRA3 P34903 5/20 0.50
GABRA2 P47869 5/20 0.50
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA4 P48169 4/20 0.50
GABRE P78334 4/20 0.50
GABRA6 Q16445 4/20 0.50
GABRG1 Q8N1C3 4/20 0.50
GABRG3 Q99928 4/20 0.50
GABRQ Q9UN88 4/20 0.50
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CHEK1 O14757 2/20 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
SCHEMBL22047173 0.85 DYRK1A (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22787315 0.79 CDK4 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28481256 0.79 POLB (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9550148 0.75 MAPT (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11733230 0.73 PBRM1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24743599 0.72 MEN1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28477678 0.72 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12219428 0.71 CHEK1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30741432 0.71 CHEK1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29533066 0.71 CHEK1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909188-B Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2023-07-25 CN disclosed
CN-111909188-A Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2020-11-10 CN disclosed