SCHEMBL7873564

SCHEMBL7873564

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3ccccc3CN3CCCCC3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR8 P51685 7/20 0.38
KCNH2 Q12809 7/20 0.38
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.34
SOS1 Q07889 1/20 0.34
SCN9A Q15858 1/20 0.34
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
HTR3A P46098 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7873974 0.99 MEN1 (0.39) MEN1KMT2ACCR8KCNH2HRH3
SCHEMBL7873849 0.89 MEN1 (0.39) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL7877849 0.88 MEN1 (0.38) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL7877779 0.87 MEN1 (0.43) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL7879919 0.86 HRH3 (0.41) HRH3ALDH1A1
SCHEMBL7877961 0.86 MEN1 (0.41) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL7879456 0.86 CHRM1 (0.37) KCNH2
SCHEMBL7881384 0.85 HRH3 (0.39) HRH3ALDH1A1
SCHEMBL7882269 0.85 KDM4E (0.40) CCR8KCNH2KDM4EALDH1A1
SCHEMBL7879705 0.85 MEN1 (0.40) MEN1KMT2ACCR8KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed