Urea

Urea

SCHEMBL7864346

NC(N)=O.O=C(Nc1ccc([N+](=O)[O-])cc1O)N[C@H]1CCCC[C@@H]1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.51
CXCR2 P25025 3/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KCNMA1 Q12791 1/20 0.46
EPHX1 P07099 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RECQL P46063 1/20 0.43
NR3C1 P04150 1/20 0.42
POLB P06746 1/20 0.41
HTR1E P28566 1/20 0.41

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
SCHEMBL7860746 0.97 CXCR1 (0.54) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7860753 0.97 CXCR1 (0.54) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7860750 0.97 CXCR1 (0.54) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7860578 0.81 CXCR2 (0.51) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7860580 0.81 CXCR2 (0.51) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7860582 0.81 CXCR2 (0.51) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL2835880 0.81 EPHX1 (0.66) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7864348 0.77 CXCR1 (0.42) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595104 0.76 CXCR1 (0.80) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL7859413 0.76 CXCR1 (0.55) CXCR1CXCR2KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed