SCHEMBL7879708

SCHEMBL7879708

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccccc3CN3CCCCC3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3A P46098 2/20 0.38
KCNH2 Q12809 3/20 0.36
CCR8 P51685 2/20 0.36
SOS1 Q07889 2/20 0.36
KDR P35968 1/20 0.36
RHEB Q15382 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PTPN11 Q06124 1/20 0.35
SCN9A Q15858 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7884288 0.99 MEN1 (0.38) MEN1KMT2AHTR3AKCNH2CCR8
SCHEMBL7877751 0.89 MEN1 (0.39) MEN1KMT2AHTR3ARHEBKDM4E
SCHEMBL7873414 0.88 MEN1 (0.39) MEN1KMT2AHTR3ARHEBKDM4E
SCHEMBL7884270 0.87 KMT2A (0.41) MEN1KMT2AHTR3AKDM4EPTPN11
SCHEMBL7877816 0.86 HRH3 (0.41) KMT2AHTR3AKDRKDM4EALDH1A1
SCHEMBL7880770 0.86 CYP3A4 (0.40) MEN1KMT2AKCNH2RHEBHTR2A
SCHEMBL7873684 0.86 KMT2A (0.39) MEN1KMT2AKDM4EPTPN11SCN9A
SCHEMBL7879675 0.85 HRH3 (0.39) HTR3AKDRRHEBKDM4EALDH1A1
SCHEMBL7881375 0.85 FAAH (0.41) HTR3ACCR8KDM4EALDH1A1
SCHEMBL7873569 0.84 KMT2A (0.40) MEN1KMT2AHTR3AKCNH2CCR8

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 3 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-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed