SCHEMBL6537329

SCHEMBL6537329

C=CCc1cnc2c([N+](=O)[O-])cccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 6/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
PDE10A Q9Y233 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 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
SCHEMBL6537817 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537614 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537901 0.78 PARP1 (0.36) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537368 0.77 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6538075 0.77 KMT2A (0.49) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537779 0.76 KMT2A (0.48) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537483 0.75 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537643 0.75 MEN1 (0.59) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL27533903 0.71 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537393 0.70 MEN1 (0.54) KMT2AMEN1ALDH1A1TDP1KDM4E

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