SCHEMBL7880987

SCHEMBL7880987

CCN(CC)Cc1ccc(Oc2ccc3cc(C(=O)N(C)C(=N)N)[nH]c3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
AR P10275 6/20 0.41
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FLT3 P36888 3/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL7884567 0.92 KMT2A (0.43) KMT2AMEN1RXFP1ARPLG
SCHEMBL7879945 0.89 KMT2A (0.41) KMT2AMEN1RXFP1ARPLG
SCHEMBL7880065 0.85 RHEB (0.31) KMT2AMEN1AR
SCHEMBL7884774 0.84 KMT2A (0.41) KMT2AMEN1RXFP1ARPLG
SCHEMBL7943749 0.83 FLT3 (0.39) KMT2AMEN1RXFP1ARPLG
SCHEMBL7879893 0.83 RHEB (0.32) AR
SCHEMBL7879719 0.83 KMT2A (0.42) KMT2AMEN1RXFP1ARPLG
SCHEMBL7873435 0.81 TP53 (0.34) KMT2AMEN1ARFLT3
SCHEMBL7880994 0.80 KMT2A (0.34) KMT2AMEN1RXFP1ARPLG
SCHEMBL7881867 0.80 KMT2A (0.43) KMT2AMEN1RXFP1ARPLG

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