SCHEMBL7880796

SCHEMBL7880796

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccc(CN(C)C)o3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RHEB Q15382 2/20 0.32
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 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
SCHEMBL7879914 0.91 ALDH1A1 (0.31) ALDH1A1MAPTRHEB
SCHEMBL7879643 0.90 ALDH1A1 (0.34) ALDH1A1MAPTRHEB
SCHEMBL7879931 0.89 TDP1 (0.33) ALDH1A1MAPTACHE
SCHEMBL7885078 0.88 RHEB (0.33) RHEBSLC6A4
SCHEMBL7881915 0.85 KMT2A (0.38) ALDH1A1
SCHEMBL7879832 0.84 KDM4E (0.35) ALDH1A1MAPTRHEBACHE
SCHEMBL7877544 0.84 SLC6A4 (0.38) RHEBHTR2ASLC6A4
Hydrochloric Acid SCHEMBL7881328 0.84 SLC6A4 (0.37) ALDH1A1RHEBHTR2ASLC6A4
SCHEMBL7879828 0.83 RHEB (0.31) RHEBHTR2ASLC6A4
SCHEMBL7880844 0.82 ACHE (0.33) ACHEHTR2ASLC6A4

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