SCHEMBL7884288

SCHEMBL7884288

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccccc3CN3CCCC3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 3/20 0.37
CCR8 P51685 2/20 0.37
HTR3A P46098 2/20 0.36
RHEB Q15382 2/20 0.36
PTPN11 Q06124 1/20 0.36
SOS1 Q07889 2/20 0.35
SCN9A Q15858 1/20 0.35
KDR P35968 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL7879708 0.99 MEN1 (0.40) MEN1KMT2AKCNH2CCR8HTR3A
SCHEMBL7873414 0.89 MEN1 (0.39) MEN1KMT2AHTR3ARHEBPTPN11
SCHEMBL7877751 0.88 MEN1 (0.39) MEN1KMT2AHTR3ARHEBPTPN11
SCHEMBL7880770 0.87 CYP3A4 (0.40) MEN1KMT2AKCNH2RHEBHTR2A
SCHEMBL7873684 0.86 KMT2A (0.39) MEN1KMT2APTPN11SCN9AL3MBTL1
SCHEMBL7879675 0.86 HRH3 (0.39) HTR3ARHEBKDRKDM4EALDH1A1
SCHEMBL7884270 0.86 KMT2A (0.41) MEN1KMT2AHTR3APTPN11SCN9A
SCHEMBL7877816 0.85 HRH3 (0.41) KMT2AHTR3AKDRKDM4EALDH1A1
SCHEMBL7884249 0.85 FAAH (0.42) KCNH2CCR8KDM4EALDH1A1
SCHEMBL7879999 0.84 SLC6A4 (0.46) KCNH2RHEBHTR2ASLC6A4CYP3A4

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