SCHEMBL10795802

SCHEMBL10795802

O=C(NCc1ccc(OC(F)(F)C(Cl)Cl)cc1)NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
PPIA P62937 1/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL10798005 0.88 TDP1 (0.57) TDP1LMNAPPARATP53RECQL
SCHEMBL11124656 0.83 EPHX2 (0.38) TDP1MAPK14PPARAPPARDEPHX2
SCHEMBL10798021 0.83 PPIA (0.43) TDP1PPIALMNAPPARATP53
SCHEMBL10794810 0.81 PPIA (0.43) PPIAPPARATP53EPHX2MAPT
SCHEMBL11077930 0.77 PPARD (0.36) LMNAGAAMAPK14PPARAPPARD
SCHEMBL11079539 0.77 EPHX2 (0.39) GAAPPARAPPARDHTTRECQL
SCHEMBL10795807 0.77 LMNA (0.41) TDP1PPIALMNAGAARECQL
SCHEMBL10800489 0.72 TDP1 (0.73) TDP1PPIALMNAGAAHTT
SCHEMBL515847 0.72 TDP1 (0.80) TDP1LMNAGAAHTTEPHX2
SCHEMBL11080529 0.70 TDP1 (0.39) TDP1LMNAEPHX2ALDH1A1HPGD

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
US-RE32418-E INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1987-05-12 US claimed
US-4170657-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1979-10-09 US claimed
US-4431667-A Imino ethers useful for controlling insect and arachnoid pests THE UPJOHN COMPANY (US) 1984-02-14 US disclosed