SCHEMBL6184019

SCHEMBL6184019

NC(=O)NOB(ONC(N)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ORAI1 Q96D31 2/20 0.36
ORAI2 Q96SN7 2/20 0.36
ORAI3 Q9BRQ5 2/20 0.36

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
SCHEMBL56442 0.82 ORAI1 (0.39) KMT2AMEN1MAPTGAAGFER
SCHEMBL7040697 0.79 ALDH1A1 (0.42) KMT2AGAATSHRHSD17B10CYP3A4
SCHEMBL15514000 0.77 PTPN1 (0.38) KMT2AMEN1MAPTGAATSHR
SCHEMBL9845992 0.74 MTNR1A (0.37) KMT2AMEN1MAPTGAATSHR
SCHEMBL918997 0.69 ORAI1 (0.42) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL3034251 0.68 TSHR (0.36) KMT2AMEN1MAPTTSHRHSD17B10
SCHEMBL3646258 0.67 MEN1 (0.52) KMT2AMEN1MAPTGAAGFER
Biphenyl SCHEMBL8419917 0.67 MEN1 (0.47) KMT2AMEN1MAPTGAAGFER
SCHEMBL5778129 0.67 KMT2A (0.44) KMT2AGAATSHRHSD17B10CYP3A4
Phenylboronic Acid SCHEMBL6701482 0.66 ENPP2 (0.74) MAPTTSHRHSD17B10POLBCYP3A4

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