SCHEMBL4636561

SCHEMBL4636561

CN(C(=O)NC(=O)c1cccc(F)c1F)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
STAT3 P40763 2/20 0.36
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
KAT6A Q92794 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PYGL P06737 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL4154212 0.87 NOTUM (0.41) NOTUMSTAT3KMT2ACA12CA1
SCHEMBL4636285 0.86 PYGL (0.36) STAT3CES2BCHECES1ALDH1A1
SCHEMBL4157950 0.73 RORC (0.37) STAT3KMT2ALMNARAB9A
SCHEMBL27864444 0.73 CES2 (0.55) CES2BCHECES1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28306201 0.72 CES2 (0.53) CES2BCHECES1ALDH1A1KMT2A
SCHEMBL2338866 0.69 NOTUM (0.51) NOTUMALDH1A1CA12CA1CA2
SCHEMBL4912349 0.68 TLR7 (0.46) KMT2AHDAC8HPGDNPC1TLR7
SCHEMBL11372591 0.68 KMT2A (0.41) CES2CES1KMT2AMAPTTLR7
SCHEMBL3688381 0.67 ALDH1A1 (0.55) NOTUMALDH1A1KMT2ACA12CA1
SCHEMBL28821060 0.67 CES2 (0.50) CES2BCHECES1ALDH1A1KMT2A

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