SCHEMBL28024979

SCHEMBL28024979

COc1cc2c(cn1)[nH]c1ccc(Br)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.68
GABRG2 P18507 13/20 0.68
GABRB3 P28472 13/20 0.68
GABRA5 P31644 13/20 0.68
GABRA3 P34903 13/20 0.68
GABRA2 P47869 13/20 0.68
GABRA6 Q16445 13/20 0.68
GABRP O00591 12/20 0.68
GABRD O14764 12/20 0.68
GABRB1 P18505 12/20 0.68
GABRB2 P47870 12/20 0.68
GABRA4 P48169 12/20 0.68
GABRE P78334 12/20 0.68
GABRG1 Q8N1C3 12/20 0.68
GABRG3 Q99928 12/20 0.68
GABRQ Q9UN88 12/20 0.68
CHUK O15111 2/20 0.54
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL406255 0.82 CHUK (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10646617 0.81 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1427646 0.80 CHEK1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14689472 0.79 CHUK (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29366993 0.75 CHUK (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL38602 0.75 CHUK (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1980977 0.75 ALDH1A1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6976263 0.75 ALDH1A1 (0.78) CHUKKDM4EMEN1ALDH1A1MAPT
SCHEMBL31188764 0.75 ALDH1A1 (0.78) CHUKKDM4EMEN1ALDH1A1MAPT
SCHEMBL10646757 0.74 GABRA1 (0.89) 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-104754941-A Proneurogenic compounds UNIV TEXAS 2015-07-01 CN claimed
CN-104754941-A Proneurogenic compounds UNIV TEXAS 2015-07-01 CN disclosed