Urea

Urea

SCHEMBL4899185

NC(N)=O.Nc1nc(N)nc(N)n1.[Ca+2].[OH-].[OH-]

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Urea. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
OR51E2 Q9H255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDPK1 O15530 1/20 0.39
CASP1 P29466 1/20 0.35
HSP90AB1 P08238 1/20 0.33
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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 SCHEMBL10914180 0.93 CYP1A2 (0.50) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL51851 0.93 CYP1A2 (0.50) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL15483993 0.93 CYP1A2 (0.50) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL28466157 0.90 CYP1A2 (0.48) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL28050095 0.90 CYP1A2 (0.48) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL6052731 0.87 CYP1A2 (0.46) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL574673 0.87 CYP1A2 (0.46) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL11663512 0.87 CYP1A2 (0.46) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL6471684 0.87 CYP1A2 (0.46) CYP1A2LMNAALDH1A1OR51E2TDP1
Urea SCHEMBL5353728 0.84 CYP1A2 (0.44) CYP1A2LMNAALDH1A1OR51E2TDP1

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
US-20080139726-A1 REDUCED-FORMALDEHYDE DISPERSIONS OF MICROCAPSULES OF MELAMINE-FORMALDEHYDE RESINS BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed