SCHEMBL6537863

SCHEMBL6537863

C=CCOc1ccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPT P10636 6/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE10A Q9Y233 1/20 0.46
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2A6 P11509 1/20 0.42
GAA P10253 3/20 0.42
CTSB P07858 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8544930 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537956 0.79 KMT2A (0.55) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537968 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537541 0.76 CYP3A4 (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12154377 0.76 MEN1 (0.57) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL2580986 0.75 MEN1 (0.53) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL430707 0.75 RAB9A (0.66) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL11213049 0.75 RAB9A (0.47) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537658 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL8545669 0.74 PARP1 (0.48) KDM4ECYP3A4CYP2A6L3MBTL1

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-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
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed