SCHEMBL9687352

SCHEMBL9687352

O=C(NC(=O)c1c(Cl)cccc1OCc1ccccc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.59
MRGPRX4 Q96LA9 5/20 0.54
LRRK2 Q5S007 4/20 0.52
SCD O00767 1/20 0.47
FPR2 P25090 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
GAA P10253 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9686654 0.82 PPIA (0.63) PPIAGAASGMS2
SCHEMBL7599768 0.82 EPHX2 (0.58) KCNJ5KCNJ3GAATDP1
SCHEMBL11392733 0.79 SCD (0.54) PPIASCDGAA
SCHEMBL11248869 0.78 TDP1 (0.64) PPIAKCNJ5KCNJ3TDP1
SCHEMBL9687933 0.78 EPHX2 (0.53) PPIAKCNJ5KCNJ3GAATDP1
SCHEMBL3806426 0.76 SGMS2 (0.53) PPIASCDGAASGMS2
SCHEMBL11244391 0.76 PPARA (0.49) PPIAMRGPRX4
SCHEMBL11236840 0.76 LRRK2 (0.50) PPIAMRGPRX4LRRK2GAATDP1
SCHEMBL11242537 0.75 ACP1 (0.54) PPIAMRGPRX4LRRK2
SCHEMBL4255007 0.75 PPIA (0.64) PPIAMRGPRX4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166180-A Administering diphenyl substituted (thio)carbonyl(thio)urea derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-24 US disclosed
EP-0324521-A2 Method of treating haematologic diseases and pharmaceutical compositions to be used therefor DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-07-19 EP disclosed