SCHEMBL11016129

SCHEMBL11016129

O=C=Nc1ccc(SCC(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL10930709 0.89 MAPK1 (0.51) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11014346 0.84 MAPK1 (0.46) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11530401 0.81 MAPK1 (0.56) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL2789021 0.78 MAPK1 (0.56) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11616340 0.78 MAPK1 (0.56) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11079871 0.78 MAPK1 (0.56) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL16322900 0.77 MAPK1 (0.51) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11534389 0.77 MAPK1 (0.54) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11529366 0.73 MAPK1 (0.50) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11018595 0.73 PDE7A (0.46) TDP1CYP3A4TSHR

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
EP-0143302-A2 Benzoylurea derivatives and intermediates NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-06-05 EP disclosed