SCHEMBL21240944

SCHEMBL21240944

CSc1cnc(OCc2ccccc2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
LMNA P02545 1/20 0.42
MAPK14 Q16539 1/20 0.41
NUDT1 P36639 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL29755761 0.81 GABRA5 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL23301902 0.81 GABRA5 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL20522564 0.78 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL31305610 0.78 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL1935936 0.75 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL16047754 0.75 AOC3 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL18297477 0.74 ALOX5 (0.51) LMNAMAOBAPPMAPTL3MBTL1
SCHEMBL23663360 0.73 ABCB1 (0.51) MAOBFFAR1APPPDGFRBPDGFRA
SCHEMBL8562004 0.73 ALOX5 (0.46) LMNAMAPK14NUDT1PKML3MBTL1
SCHEMBL22712757 0.71 GABRP (0.42) GABRG2GABRB3GABRA5GABRA3GABRP

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-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed