SCHEMBL11275261

SCHEMBL11275261

O=C(NC(=O)c1c(F)cccc1Cl)Nc1cnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1Br

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.51
▸ PTGES O14684 1/20 0.51
▸ GAA P10253 1/20 0.48
▸ TLR8 Q9NR97 8/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RORC P51449 2/20 0.40

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
SCHEMBL11274203 0.92 TLR7 (0.52) TLR7PTGESGAATLR8KDM4E
SCHEMBL11270873 0.88 MAPK14 (0.46) PTGESMAPT
SCHEMBL9135913 0.87 GAA (0.45) GAANPC1ALDH1A1MEN1KMT2A
SCHEMBL11272082 0.87 NPY5R (0.45) PTGESNPC1ALDH1A1MEN1KMT2A
SCHEMBL11276599 0.86 TLR7 (0.43) TLR7PTGESGAATLR8KDM4E
SCHEMBL11286418 0.81 RXFP1 (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11273156 0.80 MAPK14 (0.49) KMT2AMAPT
SCHEMBL8669219 0.78 GAA (0.46) GAAKDM4ENPC1MAPTRORC
SCHEMBL11273034 0.76 SMN1; SMN2 (0.41) GAAKDM4ENPC1ALDH1A1KMT2A
SCHEMBL11286892 0.75 RXFP1 (0.48) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP claimed
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 — — US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP disclosed
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