SCHEMBL11098486

SCHEMBL11098486

O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TLR7 Q9NYK1 3/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
HCRTR1 O43613 3/20 0.53
RPS6KA3 P51812 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR8 Q9NR97 3/20 0.48
PTGS1 P23219 1/20 0.47
RORC P51449 1/20 0.47
SCN9A Q15858 1/20 0.46
HCRTR2 O43614 1/20 0.46
PPIA P62937 1/20 0.46

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
SCHEMBL8657584 0.93 RAB9A (0.57) GAARAB9ANPC1HCRTR1RPS6KA3
SCHEMBL11100265 0.92 HCRTR1 (0.61) GAARAB9ANPC1HCRTR1PTGS1
SCHEMBL11096424 0.86 RAB9A (0.61) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL11099353 0.84 NPC1 (0.50) GAARAB9ANPC1PPIA
SCHEMBL8663087 0.82 RAB9A (0.51) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL11100900 0.81 RAB9A (0.55) GAARAB9ANPC1HCRTR1RPS6KA3
SCHEMBL8659238 0.79 RAB9A (0.65) RAB9ANPC1ALDH1A1MAPTSCN9A
SCHEMBL11264322 0.79 GAA (0.52) GAATLR7RAB9ANPC1KDM4E
SCHEMBL11181555 0.78 SMN1; SMN2 (0.58) GAATLR7NPC1KDM4EALDH1A1
SCHEMBL11339685 0.77 TLR7 (0.57) GAATLR7RAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281003-A 1-(2-6-Dihalobenzoyl)-3-(5-substituted-2-pyridinyl)urea insecticides and insecticidal method ELI LILLY AND COMPANY (US) 1981-07-28 US claimed
EP-0033231-B1 INSECTICIDAL COMPOSITIONS CONTAINING 2,6-DIHALOBENZOYLUREA DERIVATIVES ELI LILLY AND COMPANY (US) 1984-06-13 EP disclosed
US-4338321-A FOR INCLUSION IN CATTLE OR POULTRY FEEDS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
EP-0033231-A1 Insecticidal compositions containing 2,6-dihalobenzoylurea derivatives ELI LILLY AND COMPANY (US) 1981-08-05 EP disclosed
US-4281003-A 1-(2-6-Dihalobenzoyl)-3-(5-substituted-2-pyridinyl)urea insecticides and insecticidal method ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed