SCHEMBL7873680

SCHEMBL7873680

CN(C(=N)N)C(=O)c1cc2ccc(Oc3ccccc3CN3CCCC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 6/20 0.42
RXFP1 Q9HBX9 3/20 0.42
SCN9A Q15858 3/20 0.40
FLT3 P36888 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL7884263 0.99 KMT2A (0.41) KMT2AMEN1RXFP1SCN9AFLT3
SCHEMBL7877857 0.86 MEN1 (0.47) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7880873 0.85 RXFP1 (0.43) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7884286 0.85 MEN1 (0.38) KMT2AMEN1SCN9ADRD2DRD3
SCHEMBL7881957 0.85 MEN1 (0.48) KMT2AMEN1RXFP1FLT3PDGFRB
SCHEMBL7881140 0.85 RXFP1 (0.45) KMT2AMEN1RXFP1FLT3
SCHEMBL7879705 0.85 MEN1 (0.40) KMT2AMEN1SCN9A
SCHEMBL7879877 0.85 FLT3 (0.42) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7881076 0.84 RXFP1 (0.44) KMT2AMEN1RXFP1FLT3
SCHEMBL7877961 0.84 MEN1 (0.41) KMT2AMEN1SCN9ADRD2DRD3

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