SCHEMBL7873391

SCHEMBL7873391

CNC(N)=NC(=O)c1cc2c(Cl)ccc(OCc3cccc(CN)c3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.43
TOP2A P11388 4/20 0.37
CFD P00746 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
TPSB2 P20231 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL7880031 0.93 RHEB (0.41) MRGPRX4TOP2ABRD4
Hydrochloric Acid SCHEMBL7877846 0.93 RHEB (0.41) MRGPRX4TOP2ABRD4
SCHEMBL7884417 0.90 MRGPRX4 (0.40) MRGPRX4
Hydrochloric Acid SCHEMBL7882096 0.90 MRGPRX4 (0.41) MRGPRX4TOP2A
Hydrochloric Acid SCHEMBL7877433 0.90 RHEB (0.41) MRGPRX4BRD4
SCHEMBL7873839 0.89 MRGPRX4 (0.41) MRGPRX4TOP2A
SCHEMBL7884863 0.88 MRGPRX4 (0.40) MRGPRX4TOP2A
SCHEMBL7884840 0.87 MRGPRX4 (0.40) MRGPRX4CFDPLGPLAUF11
SCHEMBL7877437 0.87 PPARG (0.36) MRGPRX4
SCHEMBL7880728 0.86 HDAC8 (0.38) MRGPRX4BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed