SCHEMBL7873684

SCHEMBL7873684

CNC(N)=NC(=O)c1cc2ccc(Oc3ccccc3CN3CCCC3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
SCN9A Q15858 5/20 0.39
FLT3 P36888 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
PTPN11 Q06124 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7884270 0.99 KMT2A (0.41) KMT2AMEN1SCN9AFLT3NPC1
SCHEMBL7884288 0.86 MEN1 (0.38) KMT2AMEN1SCN9AL3MBTL1PTPN11
SCHEMBL7877863 0.86 FLT3 (0.39) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL7880874 0.86 RXFP1 (0.42) KMT2AFLT3NPC1RAB9ARXFP1
SCHEMBL7879708 0.86 MEN1 (0.40) KMT2AMEN1SCN9AL3MBTL1PTPN11
SCHEMBL7881146 0.85 FAAH (0.42) RXFP1KDM4E
SCHEMBL7873414 0.85 MEN1 (0.39) KMT2AMEN1SCN9APTPN11KDM4E
SCHEMBL7879879 0.85 FLT3 (0.42) KMT2AFLT3NPC1RAB9ARXFP1
SCHEMBL7881083 0.84 FAAH (0.42) KMT2AMEN1FLT3RXFP1KDM4E
SCHEMBL7877751 0.84 MEN1 (0.39) KMT2AMEN1SCN9APTPN11KDM4E

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