SCHEMBL7943749

SCHEMBL7943749

CN(C(=N)N)C(=O)c1cc2ccc(Oc3ccc(CN4CCCC4)s3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
AR P10275 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
BTK Q06187 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7879945 0.86 KMT2A (0.41) FLT3KMT2AMEN1RXFP1NPC1
SCHEMBL7879710 0.86 DRD2 (0.31) HRH4DRD2DRD3HRH3
SCHEMBL7884567 0.86 KMT2A (0.43) FLT3KMT2AMEN1RXFP1NPC1
SCHEMBL7880873 0.85 RXFP1 (0.43) FLT3KMT2AMEN1RXFP1NPC1
SCHEMBL7879877 0.84 FLT3 (0.42) FLT3KMT2AMEN1RXFP1NPC1
SCHEMBL7879493 0.84 SCN9A (0.33) ARHRH3
SCHEMBL7880987 0.83 KMT2A (0.41) FLT3KMT2AMEN1RXFP1NPC1
SCHEMBL7881140 0.82 RXFP1 (0.45) FLT3KMT2AMEN1RXFP1ROCK2
SCHEMBL7882240 0.82 HRH4 (0.36) HRH4DRD2DRD3HRH3
SCHEMBL7873680 0.82 KMT2A (0.42) FLT3KMT2AMEN1RXFP1NPC1

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 2 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
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed