SCHEMBL29635109

SCHEMBL29635109

Brc1ccc2[nH]c3cccnc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
CHUK O15111 1/20 0.51
KIF11 P52732 1/20 0.50
PARP1 P09874 3/20 0.49
ITK Q08881 2/20 0.47

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
SCHEMBL21009120 1.00 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23803039 0.88 KIF11 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29601450 0.79 PARP1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1009117 0.79 PARP1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29568550 0.79 PARP1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31218971 0.79 KIF11 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31218979 0.79 CHUK (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30278058 0.79 KIF11 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2628332 0.79 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27352066 0.79 CHUK (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4629980-A1 ANTIMICROBIAL COMPOUNDS SRI International (US) 2025-10-15 EP disclosed
CN-114516859-B Compound and application thereof 北京鼎材科技有限公司 2025-02-21 CN disclosed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
CN-114516859-A Compound and application thereof 北京鼎材科技有限公司 2022-05-20 CN disclosed