SCHEMBL11528958

SCHEMBL11528958

O=C=Nc1cccc(OC(F)(Cl)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MPI P34949 1/20 0.38
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
P2RX1 P51575 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL11531903 0.90 MAPK1 (0.40) MAPK1TDP1MPICYP3A4TRPA1
SCHEMBL29795880 0.87 MPI (0.46) MAPK1TDP1MPITSHRALDH1A1
SCHEMBL1089262 0.87 MPI (0.46) MAPK1TDP1MPITSHRALDH1A1
SCHEMBL9859306 0.85 MAPK1 (0.37) MAPK1TDP1MPICYP3A4TRPA1
SCHEMBL11531834 0.83 MAPT (0.40) MAPTHTTLMNAPOLB
SCHEMBL11438140 0.82 LMNA (0.51) MAPK1TDP1MPICYP3A4TRPA1
SCHEMBL11686555 0.81 MAPK1 (0.34) MAPK1TDP1MPICYP3A4TRPA1
SCHEMBL11533414 0.80 CYP3A4 (0.42) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9858694 0.78 MAPK1 (0.34) MAPK1TDP1MPICYP3A4TRPA1
SCHEMBL702050 0.78 TDP1 (0.46) MAPK1TDP1CYP3A4TRPA1TSHR

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