SCHEMBL11528908

SCHEMBL11528908

O=C=Nc1ccc(Cl)cc1OCF

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.33
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR4 O95977 1/20 0.31
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30
TSHR P16473 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
SCHEMBL9748164 0.84 APLNR (0.31) HPGDS1PR4SLC6A4HTR6TSHR
SCHEMBL6357932 0.78 ALDH1A1 (0.69) TDP1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL10939587 0.78 CYP3A4 (0.41) TDP1CYP3A4HPGDALDH1A1TRPA1
SCHEMBL11471789 0.77 CYP3A4 (0.42) TDP1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL6528300 0.76 CYP3A4 (0.42) TDP1CYP3A4HPGDALDH1A1TRPA1
SCHEMBL10816156 0.75 ALDH1A1 (0.45) TDP1CYP3A4HPGDALDH1A1SMN1; SMN2
SCHEMBL11201600 0.75 CYP3A4 (0.44) TDP1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL160585 0.73 CYP3A4 (0.49) TDP1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL29648775 0.73 CYP3A4 (0.49) TDP1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL10316536 0.73 TDP1 (0.42) TDP1CYP3A4HPGDALDH1A1MAPK1

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