SCHEMBL6537358

SCHEMBL6537358

COCc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
G6PD P11413 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL6537586 0.84 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6538307 0.84 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6537982 0.83 PTGES (0.51)
SCHEMBL6537869 0.82 HTT (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6537552 0.81 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6537614 0.81 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6537695 0.81 PTGES (0.44) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6538243 0.80 KMT2A (0.43) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6538278 0.80 KMT2A (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6537662 0.77 MEN1 (0.61) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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