Urea

Urea

SCHEMBL28255233

NC(N)=O.c1ccc2c(c1)CCCN2

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTK2B Q14289 1/20 0.42
PLAU P00749 1/20 0.41
NNMT P40261 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SRC P12931 1/20 0.40

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
Carbamic Acid SCHEMBL28412507 0.95 MAPT (0.54) MAPTKDM4ECA12CA1CA2
Bicarbonate SCHEMBL8082241 0.91 MAPT (0.57) MAPTKDM4ECA12CA1CA2
Oxalic Acid SCHEMBL7825836 0.89 MAPT (0.56) MAPTKDM4ECA12CA1CA2
Indoline SCHEMBL5120533 0.89 DRD2 (0.46) MAPTKDM4EPTK2BNNMTNPC1
Benzamide SCHEMBL3866268 0.89 MAPT (0.53) MAPTKDM4ECA12CA1CA2
SCHEMBL27392334 0.88 MAPT (0.50) MAPTKDM4ECA12CA1CA2
SCHEMBL18172 0.88 MAPT (0.50) MAPTKDM4ECA12CA1CA2
SCHEMBL29370549 0.88 MAPT (0.50) MAPTKDM4ECA12CA1CA2
Acetic Acid SCHEMBL6535946 0.87 MAPT (0.54) MAPTKDM4ECA12CA1CA2
SCHEMBL5366481 0.87 MAPT (0.46) MAPTKDM4ECA12CA1CA2

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
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 CN disclosed