SCHEMBL7880962

SCHEMBL7880962

CNC(N)=NC(=O)c1cc2c(Cl)cc(OCc3cccc(CN(C)C)c3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.37
MAOA P21397 3/20 0.36
ALOX5 P09917 1/20 0.36
PARP1 P09874 1/20 0.35
CFD P00746 1/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
NOS1 P29475 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
SCHEMBL7873536 0.92 MAP2 (0.37) MAOBMAOAMDM4MDM2
SCHEMBL7884603 0.91 MAOB (0.36) MAOBMAOACFD
Hydrochloric Acid SCHEMBL7873289 0.91 MAP2 (0.36) MAOBMAOAMDM4MDM2NOS1
SCHEMBL7877991 0.90 MAOB (0.38) MAOBMAOACFD
SCHEMBL7881485 0.89 PPARG (0.39) PARP1NOS1
SCHEMBL7881398 0.88 MAOB (0.36) MAOBCFDNOS1
Hydrochloric Acid SCHEMBL7881040 0.88 MAOB (0.38) MAOBMAOACFD
SCHEMBL7873845 0.87 SLC6A4 (0.34) MAOBMAOAMDM4MDM2
SCHEMBL7880186 0.86
SCHEMBL7877892 0.86 FLT3 (0.45) MAOBMAOACFDNOS1

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