SCHEMBL4636721

SCHEMBL4636721

CN(C(=O)c1cccc(F)c1F)C(=O)N(C)c1ccc(SC(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
EPHX2 P34913 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL4636479 0.91 NPC1 (0.37) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL4146986 0.87 RORC (0.36) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL4636222 0.84 CES2 (0.35) CES2CES1BCHELMNAMAPK1
SCHEMBL4636412 0.83 CES2 (0.34) CES2CES1BCHERORC
SCHEMBL4158469 0.79 RORC (0.38) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL4151380 0.78 RORC (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL4636176 0.77 RORC (0.34) CES2CES1BCHERORC
SCHEMBL4145216 0.74 RORC (0.38) CES2CES1POLBRORCHPGD
SCHEMBL4636198 0.74 CES2 (0.34) CES2CES1BCHERORCHPGD
SCHEMBL4637022 0.73 NPC1 (0.41) NPC1RAB9ASMN1; SMN2CES2CES1

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
EP-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed