Urea

Urea

SCHEMBL13684303

C=C(COC1CCCCC1)COC1CCCCC1.NC(N)=O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NAAA Q02083 3/20 0.33
▸ ATF4 P18848 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PARP10 Q53GL7 2/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ PARP15 Q460N3 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30

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
SCHEMBL1899578 0.86 EPHX1 (0.34) EPHX1NPC1ALOX5CYP2C19CA1
SCHEMBL12599011 0.81 HTT (0.39) EPHX1NPC1ALOX5CYP2C19CA1
SCHEMBL22154807 0.81 HTT (0.39) EPHX1NPC1ALOX5CYP2C19CA1
SCHEMBL6120762 0.79 HTT (0.40) EPHX1NPC1ALOX5CYP2C19CA1
SCHEMBL6657985 0.76 EPHX1 (0.35) EPHX1NPC1CYP2C19NAAAATF4
Bicarbonate SCHEMBL13570853 0.74 EPHX1 (0.39) EPHX1NPC1CYP2C19NAAAATF4
SCHEMBL12599205 0.74 — —
SCHEMBL24564741 0.74 THRA (0.42) EPHX1NPC1CYP2C19NAAA
SCHEMBL1734827 0.74 THRA (0.42) EPHX1NPC1CYP2C19NAAA
SCHEMBL15159536 0.74 THRA (0.42) EPHX1NPC1CYP2C19NAAA

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
EP-2521941-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM Corporation (JP) 2012-11-14 — — EP disclosed
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