SCHEMBL5505388

SCHEMBL5505388

O=Cc1cnc(-c2ccc([N+](=O)[O-])cc2)s1.O=[N+]([O-])c1ccc(-c2nccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
GAA P10253 4/20 0.41
MGAM O43451 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
STAT1 P42224 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 2/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL3075528 0.89 XDH (0.57) XDHGAAMGAMSIMGAM2
SCHEMBL3072972 0.84 PDPK1 (0.53) XDHGAAMGAMSIMGAM2
SCHEMBL1316525 0.76 TDP1 (0.40) MAPTALDH1A1TDP1KDM4EPDPK1
SCHEMBL22531043 0.70 HSPB1 (0.60) XDHGAAMGAMSIMGAM2
SCHEMBL23146389 0.70 CDC7 (0.45) MAPTALDH1A1POLBTDP1KDM4E
SCHEMBL20641472 0.69 XDH (0.68) XDHGAAMGAMSIMGAM2
SCHEMBL1314645 0.69 PTPN11 (0.43) LMNAMAPTNPC1ALDH1A1RAB9A
SCHEMBL29065959 0.69 XDH (0.48) XDHMAPTALDH1A1TDP1KDM4E
SCHEMBL850770 0.69 SMN1; SMN2 (0.51) GAAMGAMSIMGAM2LMNA
SCHEMBL16032766 0.69 HDAC1 (0.48) GAALMNAMAPTNPC1ALDH1A1

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-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO disclosed