SCHEMBL7873486

SCHEMBL7873486

CNC(N)=NC(=O)c1cc2ccc(Oc3ccc(CN)o3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
FLT3 P36888 3/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
CA2 P00918 1/20 0.32
XDH P47989 1/20 0.32
AR P10275 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
SCHEMBL7881915 0.90 KMT2A (0.38) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7879724 0.88 KMT2A (0.35) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7880084 0.87 FLT3 (0.39) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7879643 0.85 ALDH1A1 (0.34)
SCHEMBL7881191 0.84 KMT2A (0.39) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7879948 0.83 FLT3 (0.34) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7881877 0.83 RHEB (0.34) AR
SCHEMBL7877501 0.81 KMT2A (0.41) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7877863 0.80 FLT3 (0.39) KMT2ANPC1RAB9AFLT3PDGFRB
SCHEMBL7882069 0.80 XDH (0.51) KMT2ANPC1RAB9AFLT3PDGFRB

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