SCHEMBL7873674

SCHEMBL7873674

CCN(CC)Cc1ccnc(Oc2ccc3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SYK P43405 5/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
LOXL2 Q9Y4K0 3/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
FLT3 P36888 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LOX P28300 1/20 0.33

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
SCHEMBL7884561 0.92 MEN1 (0.44) KMT2AMEN1RXFP1SYKROCK2
SCHEMBL7881890 0.89 LOXL2 (0.47) KMT2AMEN1RXFP1LOXL2LOX
SCHEMBL7881777 0.86 KMT2A (0.41) KMT2AMEN1RXFP1SYKROCK2
SCHEMBL7882278 0.85 LOXL2 (0.32) KMT2AMEN1LOXL2LOX
SCHEMBL7884818 0.85 MEN1 (0.41) KMT2AMEN1RXFP1SYKROCK2
SCHEMBL7881867 0.84 KMT2A (0.43) KMT2AMEN1RXFP1ROCK2ROCK1
SCHEMBL7882017 0.84 FLT3 (0.39) KMT2AMEN1RXFP1SYKROCK2
SCHEMBL7873705 0.83 MEN1 (0.46) KMT2AMEN1RXFP1PLGPLAU
SCHEMBL7879968 0.83 RHEB (0.31) LOXL2LOX
SCHEMBL7882345 0.82 MEN1 (0.48) KMT2AMEN1RXFP1ROCK2ROCK1

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