SCHEMBL7877853

SCHEMBL7877853

CNC(N)=NC(=O)c1cc2c(C)cc(OCCCN)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MCL1 Q07820 13/20 0.34
BCL2 P10415 2/20 0.34
PPARA Q07869 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
Hydrochloric Acid SCHEMBL8634815 0.99 KDM4E (0.35) KDM4EMCL1BCL2PPARANPC1
Hydrochloric Acid SCHEMBL7877315 0.99 KDM4E (0.35) KDM4EMCL1BCL2PPARANPC1
SCHEMBL7882300 0.94 KDM4E (0.34) KDM4EMCL1BCL2PPARANPC1
SCHEMBL7881142 0.89 PDGFRB (0.39) KDM4EMCL1
Hydrochloric Acid SCHEMBL8631088 0.88 PDGFRB (0.39) KDM4EMCL1
Hydrochloric Acid SCHEMBL7884347 0.88 PDGFRB (0.39) KDM4EMCL1
Hydrochloric Acid SCHEMBL7880203 0.87 GRIN1 (0.34) KDM4EMCL1BCL2DRD2DRD3
SCHEMBL7873365 0.87 HDAC3 (0.42) KDM4ENPC1RAB9AGLAGAA
Hydrochloric Acid SCHEMBL8626872 0.87 GRIN1 (0.34) KDM4EMCL1BCL2DRD2DRD3
SCHEMBL7873704 0.87 MAOB (0.38) KDM4EPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed