SCHEMBL8948474

SCHEMBL8948474

COC(=O)Nc1ccc(C[N+]2([O-])CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
NPY2R P49146 2/20 0.43
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.37
CCR2 P41597 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MTOR P42345 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
SCHEMBL8948394 0.90 NPY2R (0.46) DNMT1EHMT2NPY2REPHX2KMT2A
SCHEMBL7983659 0.77 CYP1A1 (0.40) DNMT1EHMT2NPY2RKMT2AMEN1
SCHEMBL7995779 0.76 PTGES (0.36) DNMT1EHMT2NPY2RKCNH2
SCHEMBL8488930 0.74 BCHE (0.34) DNMT1EHMT2NPY2RCCR2LMNA
SCHEMBL2091167 0.73 EPHX2 (0.66) EPHX2KMT2AMEN1LMNAHTT
SCHEMBL7472407 0.71 ALDH1A1 (0.39) DNMT1EHMT2NPY2RLMNAMAPT
SCHEMBL7465767 0.71 LMNA (0.43) DNMT1EHMT2KMT2AMEN1LMNA
SCHEMBL8199968 0.70 DNMT1 (0.62) DNMT1EHMT2NPY2REPHX2HIF1A
SCHEMBL8792330 0.69 KCNH2 (0.42) NPY2REPHX2KMT2AMEN1LMNA
SCHEMBL8948324 0.68 CCR6 (0.40) NPY2RKCNH2

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-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed