Urea

Urea

SCHEMBL2597752

NC(N)=O.NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.65
ALOX15 P16050 1/20 0.65
P2RY14 Q15391 1/20 0.65
ACE P12821 4/20 0.64
ITGB2 P05107 6/20 0.64
ICAM1 P05362 6/20 0.64
ITGAL P20701 6/20 0.64
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.62
TP53 P04637 1/20 0.62

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
Urea SCHEMBL2597753 1.00 ERAP2 (0.65) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL1407979 0.97 ALOX15 (0.68) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL30051539 0.97 ALOX15 (0.68) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL1407978 0.97 ALOX15 (0.68) ERAP2ALOX15P2RY14ACEITGB2
Water SCHEMBL28029902 0.96 ERAP2 (0.67) ERAP2ALOX15P2RY14ACEITGB2
Water SCHEMBL28029903 0.96 ERAP2 (0.67) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL30051742 0.93 ACE (0.68) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL31238592 0.90 ECE1 (0.64) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL15757296 0.90 ERAP2 (0.62) ERAP2ALOX15P2RY14ACEITGB2
SCHEMBL15757291 0.90 ERAP2 (0.62) ERAP2ALOX15P2RY14ACEITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146683-A1 METHODS AND REAGENTS FOR METABOLOMICS AND HISTOLOGY IN A BIOLOGICAL SAMPLE AND A KIT FOR THE SAME METABOLON, INC. (US) 2011-11-24 WO disclosed