SCHEMBL6185099

SCHEMBL6185099

COP(=O)(OC)C(O)(c1ccccc1[N+](=O)[O-])P(=O)(OC)OC.COP(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4023531 0.93 NPSR1 (0.54) NPSR1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL27603528 0.86 NPSR1 (0.50) NPSR1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4023532 0.80 NPSR1 (0.44) NPSR1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4183708 0.74 TSHR (0.45) ALDH1A1TDP1MAPTF2PRSS1
SCHEMBL15284094 0.71 NPSR1 (0.59) NPSR1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8331183 0.69 NPSR1 (0.60) NPSR1ALDH1A1TDP1HSD17B10HTT
SCHEMBL11427505 0.69 NPSR1 (0.51) NPSR1ALDH1A1TDP1HSD17B10KMT2A
SCHEMBL2956140 0.69 NPSR1 (0.60) NPSR1ALDH1A1TDP1HSD17B10HTT
SCHEMBL27622387 0.68 TSHR (0.42) ALDH1A1TDP1MAPTF2PRSS1
SCHEMBL5964871 0.68 NPSR1 (0.59) NPSR1ALDH1A1TDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP disclosed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO disclosed