SCHEMBL10567110

SCHEMBL10567110

CCCC(=O)Nc1c([N+](=O)[O-])c(C(C)(C)C)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRB3 P28472 15/20 0.37
GABRA2 P47869 8/20 0.37
GABRB2 P47870 8/20 0.37
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRG1 Q8N1C3 3/20 0.36

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
SCHEMBL10563548 0.92 BACE1 (0.41) BACE1MEN1KMT2AGABRB3GABRA2
SCHEMBL10563234 0.83 GABRB3 (0.38) BACE1CYP3A4GABRB3GABRA2GABRB2
SCHEMBL7713328 0.81 BACE1 (0.41) BACE1CYP3A4GABRB3GABRA2GABRB2
SCHEMBL7707255 0.81 BACE1 (0.40) BACE1CYP3A4GABRB3GABRA2GABRB2
SCHEMBL7713349 0.80 GABRB3 (0.45) BACE1MEN1KMT2AGABRB3GABRA2
SCHEMBL10563898 0.76 GABRP (0.50) CYP3A4GABRB3GABRA2GABRB2GABRP
SCHEMBL10564281 0.76 GABRB3 (0.43) BACE1CYP3A4GABRB3GABRA2GABRB2
SCHEMBL7713491 0.76 BACE1 (0.41) BACE1CYP3A4GABRB3GABRA2GABRB2
SCHEMBL9010510 0.76 GABRB3 (0.40) BACE1MEN1KMT2AGABRB3GABRA2
SCHEMBL10568665 0.74 GABRB3 (0.39) BACE1CYP3A4GABRB3GABRA2GABRB2

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
US-4826867-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed