SCHEMBL18831778

SCHEMBL18831778

Cc1cc(OCc2c(C(F)F)cccc2N(N)C(=O)N(C)N)c(C)cc1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18831773 0.89 MRGPRX4 (0.34) SLC22A12MRGPRX4
SCHEMBL21317982 0.87 SLC22A12 (0.41) SLC22A12MRGPRX4MAPTRAB9ANPSR1
SCHEMBL20686655 0.83 MRGPRX4 (0.37) MRGPRX4
SCHEMBL18831574 0.82 PDCD1 (0.32)
SCHEMBL20195615 0.79 GUCY1B2 (0.31)
SCHEMBL18831653 0.79 MRGPRX4 (0.40) SLC22A12MRGPRX4MAPTRAB9ANPSR1
SCHEMBL18831524 0.78 AOC3 (0.34) SLC22A12
SCHEMBL20686665 0.78 PTGDR2 (0.40) MRGPRX4
SCHEMBL18831656 0.78 GRM5 (0.38) MRGPRX4MAPTRAB9A
SCHEMBL18831482 0.78 MRGPRX4 (0.36) MRGPRX4MAPTRAB9A

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-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed