SCHEMBL4636307

SCHEMBL4636307

CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(SS)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
RAB9A P51151 1/20 0.36
PPIA P62937 1/20 0.36
ATM Q13315 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4142624 0.89 PPIA (0.40) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL11372591 0.85 KMT2A (0.41) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL4150579 0.85 TLR7 (0.39) KMT2AMEN1RAB9APPIAATM
SCHEMBL13774578 0.83 MEN1 (0.47) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL14034291 0.83 ESR1 (0.43) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL4908017 0.82 GPBAR1 (0.48) KMT2AMEN1TLR7TDP1CYP3A4
SCHEMBL4158322 0.81 ATM (0.37) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL9653358 0.79 KMT2A (0.41) KMT2AMEN1PPIATLR7TDP1
SCHEMBL4912349 0.77 TLR7 (0.46) KMT2AMEN1RAB9ATLR7LMNA
SCHEMBL7608144 0.77 PSMB1 (0.41) RAB9ATDP1

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