SCHEMBL30952811

SCHEMBL30952811

Nc1c(-c2ccc(C(F)(F)F)s2)c(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2B Q13224 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
SCHEMBL30952812 1.00 POLB (0.39) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL30952803 0.87 MGLL (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30952798 0.82 HDAC6 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30952800 0.81 GRIN2B (0.35) POLBGRIN2B
SCHEMBL30952804 0.81 GLA (0.34) POLBKDM4EGRIN2B
SCHEMBL13300345 0.79 POLB (0.42) POLBKDM4EL3MBTL1
SCHEMBL13300321 0.78 POLB (0.64) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL1005169 0.75 POLB (0.49) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL13300323 0.75 POLB (0.52) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL1006043 0.75 POLB (0.49) POLBGABRPGABRDGABRA1GABRB1

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-2024121261-A1 INSECTICIDAL COMPOUND BASED ON PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 WO disclosed