SCHEMBL29249689

SCHEMBL29249689

COC(=O)c1ncnc2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
UBE2N P61088 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44

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
SCHEMBL3845935 0.83 HTT (0.56) ALDH1A1MAPTTSHRHTTKDM4E
SCHEMBL29249633 0.80 PARP1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL15500822 0.79 RXFP1 (0.51) ALDH1A1MAPTTSHRKDM4ERXFP1
SCHEMBL30264706 0.76 PDE10A (0.52) PDE10AEGFRALKRETKDR
SCHEMBL24728976 0.75 LMNA (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30647543 0.75 LMNA (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21756245 0.74 EGFR (0.50) CA1CA2CA9PDE10AALDH1A1
SCHEMBL23733197 0.74 HTT (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10091835 0.73 CA12 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7806458 0.73 RAF1 (0.52) PARP1EGFRERBB2ALKRAF1

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-117836013-A Radiotracer and therapeutic agents that bind to Fibroblast Activation Protein (FAP) 蓝地诊断有限公司 2024-04-05 CN disclosed