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Urea

Urea

SCHEMBL7511030

N#Cc1ccc(N(C(N)=O)c2ccccc2OCc2ccncc2)c(O)c1.NC(N)=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.38
▸ XDH P47989 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35

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
SCHEMBL27498935 0.91 CYP19A1 (0.43) PPIASGMS2CYP19A1CYP11B1CYP11B2
SCHEMBL27575355 0.79 AR (0.40) —
SCHEMBL27500814 0.73 CXCR2 (0.37) XDH
SCHEMBL7514780 0.73 CXCR1 (0.56) PPIASGMS2LRRK2
SCHEMBL7506969 0.73 CXCR2 (0.48) XDH
SCHEMBL27587741 0.71 CYP19A1 (0.51) PPIACYP19A1CYP11B1CYP11B2
SCHEMBL27498642 0.71 CXCR2 (0.44) XDH
SCHEMBL6823250 0.70 P4HB (0.38) MRGPRX4
SCHEMBL214965 0.67 MAOB (0.58) PPIAXDHMRGPRX4
SCHEMBL27516259 0.67 TSHR (0.40) —

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-1107948-A4 AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE SMITHKLINE BEECHAM (US) 2002-01-02 — — EP claimed
EP-1107948-A1 AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE Smithkline Beecham (US) 2001-06-20 — — EP claimed
WO-2000012468-A1 AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE SMITHKLINE BEECHAM CORPORATION (US) 2000-03-09 — — WO claimed