SCHEMBL6537647

SCHEMBL6537647

CC(C)(C)[Si](OCc1cnc2c([N+](=O)[O-])cccc2c1Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIN1 Q13526 6/20 0.36
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS1 P29475 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOS2 P35228 1/20 0.34
BLM P54132 1/20 0.34
HTT P42858 3/20 0.34

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
SCHEMBL6538303 0.83 G6PD (0.33) PDE10A
SCHEMBL6537614 0.80 KMT2A (0.51) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6538075 0.78 KMT2A (0.49) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537779 0.77 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6538571 0.76 SLC16A3 (0.38) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL6538228 0.74 DNA2 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL22552349 0.74 NPC1 (0.48) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6641204 0.73 TDP1 (0.40) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537817 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL7954447 0.72 PKN1 (0.42) ALDH1A1KMT2AMEN1KDM4ETDP1

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