SCHEMBL11272082

SCHEMBL11272082

O=C(NC(=O)c1c(F)cccc1F)Nc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTGES O14684 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CCR1 P32246 2/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ IL2 P60568 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL11270873 0.90 MAPK14 (0.46) NPY5RPTGESCCR1NPBWR1MCHR1
SCHEMBL11275261 0.87 TLR7 (0.51) MEN1KMT2APTGESALDH1A1MAPT
SCHEMBL11286892 0.86 RXFP1 (0.48) NPY5RCCR1NPBWR1MCHR1SMN1; SMN2
SCHEMBL11286418 0.84 RXFP1 (0.46) NPY5RMEN1KMT2ALMNAALDH1A1
SCHEMBL11273156 0.81 MAPK14 (0.49) NPY5RKMT2ACCR1NPBWR1MCHR1
SCHEMBL11274203 0.79 TLR7 (0.52) MEN1KMT2APTGESALDH1A1NPBWR1
SCHEMBL11271650 0.78 RXFP1 (0.46) NPY5RKMT2ACCR1NPBWR1MCHR1
SCHEMBL9135913 0.77 GAA (0.45) MEN1KMT2ALMNAALDH1A1CCR1
SCHEMBL11283145 0.76 MAPK14 (0.47) NPY5RMEN1KMT2ALMNAALDH1A1
SCHEMBL3039672 0.74 MAPT (0.61) MEN1KMT2ALMNAALDH1A1NPBWR1

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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