SCHEMBL7873569

SCHEMBL7873569

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3ccccc3CN3CCCCC3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CCR8 P51685 5/20 0.38
KCNH2 Q12809 5/20 0.38
BRD4 O60885 1/20 0.35
HTR3A P46098 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
SCN9A Q15858 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7873980 0.99 KMT2A (0.39) KMT2AMEN1CCR8KCNH2BRD4
SCHEMBL7873852 0.89 MEN1 (0.39) KMT2AMEN1BRD4HTR3AL3MBTL1
SCHEMBL7877852 0.88 MEN1 (0.38) KMT2AMEN1CCR8KCNH2KDM4E
SCHEMBL7877785 0.87 MEN1 (0.42) KMT2AMEN1CCR8KCNH2KDM4E
SCHEMBL7879922 0.86 HRH3 (0.40) KDM4EALDH1A1ACHE
SCHEMBL7877963 0.86 MEN1 (0.41) KMT2AMEN1CCR8KCNH2PTPN11
SCHEMBL7879460 0.86 CYP3A4 (0.37) KCNH2BRD4CYP2D6
SCHEMBL7881391 0.85 HRH3 (0.39) KDM4EALDH1A1ACHE
SCHEMBL7882273 0.85 KDM4E (0.41) CCR8KCNH2KDM4EALDH1A1
SCHEMBL7879708 0.84 MEN1 (0.40) KMT2AMEN1CCR8KCNH2HTR3A

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