SCHEMBL10451237

SCHEMBL10451237

O=C=Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11003249 0.89 MAPK1 (0.43) MAPK1TDP1CYP3A4TRPA1KIF11
SCHEMBL10645022 0.82 MAPK1 (0.47) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10850783 0.82 P2RY6 (0.37) TDP1CYP3A4KIF11CYP1A2
SCHEMBL11002226 0.78 MAPK1 (0.37) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL7460629 0.77 MAPK1 (0.36) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL2643889 0.72 KIF11 (0.44) MAPK1TDP1CYP3A4TRPA1KIF11
SCHEMBL11114110 0.72 P2RY6 (0.33) TDP1CYP3A4
SCHEMBL30298625 0.71 P2RY6 (0.37) TDP1CYP3A4KIF11
SCHEMBL140824 0.70 HTR3E (0.53) MAPK1TDP1CYP3A4TRPA1
SCHEMBL29648863 0.70 HTR3E (0.53) MAPK1TDP1CYP3A4TRPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed
US-4611003-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0097862-B1 SUBSTITUTED BENZOYL(THIO) UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PARASITICIDES BAYER AG (DE) 1986-08-06 EP disclosed
EP-0097862-A1 Substituted benzoyl(thio) ureas, process for their preparation and their use as parasiticides BAYER AG (DE) 1984-01-11 EP disclosed