SCHEMBL7977672

SCHEMBL7977672

O=C(CCCNc1cc(Cl)ccc1Cl)Oc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 5/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
NR4A2 P43354 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MPI P34949 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7977810 0.89 NPSR1 (0.34) TDP1MAPTCYP1A2CYP2C9HIF1A
SCHEMBL7976379 0.88 HDAC1 (0.39) TDP1MAPTCYP1A2CYP2C9MEN1
SCHEMBL7976345 0.85 LMNA (0.36) TDP1MAPTHTTMEN1KMT2A
SCHEMBL7977673 0.84 KMT2A (0.45) TDP1MAPTCYP1A2HTTMEN1
SCHEMBL7979241 0.80 MAPT (0.37) MAPTCYP1A2HTTMEN1KMT2A
SCHEMBL7979399 0.80 MAPT (0.34) MAPTCYP1A2HTTMEN1KMT2A
SCHEMBL7977813 0.80 FOLH1 (0.40) TDP1MAPTMEN1KMT2APOLB
SCHEMBL7965920 0.77 MAPT (0.50) MAPTCYP1A2CYP2C9HTTMEN1
SCHEMBL7976381 0.74 HDAC1 (0.42) MAPTHTTGAAHDAC1HPGD
SCHEMBL7965903 0.74 TRPM5 (0.34) TDP1MAPTHTTMEN1KMT2A

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed