SCHEMBL5260362

SCHEMBL5260362

CC(=NO)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 4/20 0.46
P2RX3 P56373 3/20 0.40
LMNA P02545 1/20 0.39
SCN9A Q15858 2/20 0.37
SRD5A2 P31213 1/20 0.36
TLR8 Q9NR97 1/20 0.36
PNLIP P16233 1/20 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
SCHEMBL22407068 0.83 MAOB (0.68) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL22439721 0.81 CYP11B1 (0.48) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL22406928 0.81 CYP11B1 (0.48) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL17996051 0.77 P2RX3 (0.55) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL11544488 0.77 MAOB (0.50) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL5255602 0.76 MAOB (0.52) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL11540801 0.75 MAOB (0.48) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL6701425 0.75 CES2 (0.66) MAOBCYP11B1CYP11B2
SCHEMBL6701419 0.75 CES2 (0.66) MAOBCYP11B1CYP11B2
SCHEMBL30391817 0.73 MAOA (0.46) MAOBMAOACYP11B1CYP11B2P2RX3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844993-B1 PESTICIDAL INDAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-09-26 EP disclosed
EP-0844993-A2 PESTICIDAL INDAZOLE DERIVATIVES Novartis AG (CH) 1998-06-03 EP disclosed
WO-1997007103-A2 PESTICIDAL INDAZOLE DERIVATIVES NOVARTIS AG (CH) 1997-02-27 WO disclosed