SCHEMBL29530429

SCHEMBL29530429

Brc1ccc2[nH]c3cccc(Br)c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
CCNB2 O95067 2/20 0.48
CCNE2 O96020 2/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48

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
SCHEMBL28474458 1.00 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27014751 0.86 AR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17331160 0.85 CCNB2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30475432 0.85 CCNB2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28937473 0.82 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28714839 0.82 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21145351 0.82 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28032856 0.82 IMPDH2 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23606151 0.82 CHUK (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL420335 0.80 IMPDH2 (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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-114213633-B Preparation method of 4CzIPN type organic polymer and application thereof in photocatalytic synthesis 信阳农林学院 2023-07-07 CN disclosed
CN-114213633-A Preparation method of 4CzIPN type organic polymer and application thereof in photocatalytic synthesis 信阳农林学院 2022-03-22 CN disclosed