SCHEMBL10282199

SCHEMBL10282199

CCc1ccc(C2=NOC(c3cc(Cl)cc(I)c3)(C(F)(F)F)C2)cc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PDK1 Q15118 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL472676 0.94 NCOA1 (0.33) NCOA1NCOA3PDK1USP2LMNA
SCHEMBL3120927 0.85 USP2 (0.31) USP2LMNAMAPTHTT
SCHEMBL3112584 0.85 USP2 (0.31) USP2LMNAMAPTHTT
SCHEMBL27964626 0.84 USP2 (0.30) USP2LMNAMAPTHTT
SCHEMBL3123196 0.82 PTGS2 (0.33) LMNAMAPTHTT
SCHEMBL472629 0.82 MAPT (0.34) USP2LMNAMAPTHTT
SCHEMBL472625 0.82 LMNA (0.42) USP2LMNAMAPTHTT
SCHEMBL472288 0.82 MAPT (0.37) NCOA1NCOA3USP2LMNAMAPT
Ammonia Solution, Strong SCHEMBL27964641 0.81 MAPT (0.33) USP2LMNAMAPTHTT
SCHEMBL737953 0.80 NPC1 (0.35) USP2LMNAMAPTHTT

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
EP-2412239-A1 Animal ectoparasite-controlling agent Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed