SCHEMBL8028809

SCHEMBL8028809

CCOOCc1ncn2c1CNCc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.35
GABRB3 P28472 12/20 0.35
GABRA5 P31644 12/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GABRA2 P47869 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL8032282 0.84 GABRG2 (0.34) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8034707 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8030558 0.81 GABRG2 (0.32) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL13059442 0.74 GABRG2 (0.45) GABRG2GABRB3GABRA5ALDH1A1GABRA2
SCHEMBL13002475 0.74 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL12196276 0.72 GABRG2 (0.32) GABRG2GABRB3GABRA5MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3765321 0.69 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL8019233 0.68 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL14996190 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10293863 0.66 GABRG2 (0.50) GABRG2GABRB3GABRA5LMNAMEN1

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
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed