SCHEMBL3637389

SCHEMBL3637389

CSC(C)CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 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
SCHEMBL3109810 0.89 LMNA (0.33) HTTKDM4EHPGDTP53
SCHEMBL3110825 0.87 TDP1 (0.34) HTTKDM4EALDH1A1GAATP53
SCHEMBL871002 0.87 KMT2A (0.36) HTTKDM4EALDH1A1
SCHEMBL1035116 0.86 ALDH1A1 (0.39) HTTKDM4EALDH1A1HPGDTP53
SCHEMBL1036065 0.86 PDK2 (0.36) HPGDTP53
SCHEMBL21863693 0.85 PDK2 (0.39) HPGD
SCHEMBL3110768 0.85 PSMB11 (0.34) KDM4EALDH1A1GAATP53
SCHEMBL3115589 0.85 POLR1A (0.34) POLBKDM4ETP53
SCHEMBL3110292 0.85 PSMB11 (0.34) KDM4EALDH1A1GAATP53
SCHEMBL16687347 0.84 ORAI1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 EP disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 WO disclosed