SCHEMBL6538378

SCHEMBL6538378

O=c1c(Cl)c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.63
CASP6 P55212 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
PARP1 P09874 1/20 0.49
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 3/20 0.46
CLK1 P49759 2/20 0.46
DYRK1A Q13627 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
GUSB P08236 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1017079 0.89 DNA2 (0.56) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL30275708 0.89 DNA2 (0.56) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL6538035 0.81 DNA2 (0.63) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL6538267 0.81 DNA2 (0.63) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL6537663 0.81 DNA2 (0.59) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL6538006 0.79 DNA2 (0.68) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL4334739 0.78 DNA2 (1.00) DNA2CASP6CTDSP1PARP1ALDH1A1
SCHEMBL6537720 0.77 DNA2 (0.78) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL29236598 0.76 DNA2 (0.56) DNA2CASP6CTDSP1PARP1TDP1
SCHEMBL28312938 0.76 MAPT (0.57) DNA2CASP6CTDSP1PARP1TDP1

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed