SCHEMBL7101669

SCHEMBL7101669

O=C(CN[N+](=O)[O-])Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM1A O60341 1/20 0.46
GAA P10253 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL733776 0.78 EPHX2 (0.53) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8509315 0.75 HDAC4 (0.57) MAPTL3MBTL1HTTCYP3A4CYP1A2
SCHEMBL6013464 0.75 MAOB (0.59) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11458040 0.75 L3MBTL1 (0.66) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1561387 0.75 MAPT (0.70) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11517424 0.74 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL1689206 0.74 EPHX2 (0.68) EPHX2MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL8530977 0.74 MAPT (0.53) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4526488 0.73 KDM1A (0.49) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1
Water SCHEMBL9506366 0.73 MAOB (0.58) EPHX2MAPTALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892813-A4 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA INC (US) 2003-02-05 EP claimed
EP-0892813-A1 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA, INC. (US) 1999-01-27 EP claimed
WO-1997029127-A1 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA, INC. (US) 1997-08-14 WO claimed
WO-2003099852-A2 PEPTIDE DERIVATIZATION PROCESS RESTORAGEN INC. (US) 2003-12-04 WO disclosed