SCHEMBL11533162

SCHEMBL11533162

O=C=Nc1ccc(OCF)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL6504746 0.84 MAPT (0.43) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11526292 0.81 TDP1 (0.56) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL3306947 0.78 ALDH1A1 (0.47) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL3977319 0.77 MAPK1 (0.40) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11533450 0.77 MAPK1 (0.40) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11533356 0.75 MAPK1 (0.41) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11535247 0.75 MAPK1 (0.41) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11526277 0.75 MAPK1 (0.41) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11528700 0.74 TDP1 (0.37) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11517806 0.73 MAPK1 (0.52) TDP1MAPK1CYP3A4TSHRTRPA1

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-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed