SCHEMBL7879877

SCHEMBL7879877

CN(C(=N)N)C(=O)c1cc2ccc(Oc3ccc(CN4CCCCC4)cc3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HRH3 Q9Y5N1 10/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
BTK Q06187 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHEK1 O14757 1/20 0.37

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
SCHEMBL7880873 0.99 RXFP1 (0.43) FLT3RXFP1KMT2AMEN1HRH3
SCHEMBL7881076 0.92 RXFP1 (0.44) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7881140 0.91 RXFP1 (0.45) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7881119 0.89 ROCK2 (0.39) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7877811 0.86 HRH3 (0.41) HRH3KDM4EMAPT
SCHEMBL7882017 0.86 FLT3 (0.39) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7884263 0.86 KMT2A (0.41) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7881978 0.86 FLT3 (0.40) FLT3RXFP1KMT2AMEN1KDM4E
SCHEMBL7879668 0.85 HRH3 (0.39) HRH3KDM4EMAPT
SCHEMBL7873680 0.85 KMT2A (0.42) FLT3RXFP1KMT2AMEN1NPC1

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