SCHEMBL6537335

SCHEMBL6537335

Cc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])ccc(C)c2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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 0.85 KDM4E (0.53) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL6537717 0.80 MEN1 (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL6537938 0.77 TYK2 (0.43) MEN1KMT2ALMNACYP3A4RAB9A
SCHEMBL220700 0.75 KDM4E (0.63) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1963164 0.74 KMT2A (0.65) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL6537327 0.74 MEN1 (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL28153756 0.74 KMT2A (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL18585487 0.73 RAB9A (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12230498 0.73 LMNA (0.64) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL12342535 0.72 KDM4E (0.66) MEN1KMT2AKDM4EALDH1A1HPGD

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