SCHEMBL7873435

SCHEMBL7873435

CCN(CC)Cc1ccc(Oc2cccc3cc(C(=O)N(C)C(=N)N)[nH]c23)s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
FLT3 P36888 1/20 0.32
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL7879444 0.92 AR (0.34) TP53MAPTARKDM4EIDO1
SCHEMBL7880162 0.89 HRH4 (0.33) TP53MAPTARIDO1HRH4
SCHEMBL7873789 0.85 BRD4 (0.30)
SCHEMBL7877469 0.84 HRH4 (0.35) TP53MAPTIDO1HRH4FLT3
SCHEMBL7882240 0.83 HRH4 (0.36) IDO1HRH4SCN9A
SCHEMBL7881311 0.83 AR (0.39) TP53MAPTARKDM4EIDO1
SCHEMBL7873426 0.83 BRD4 (0.30)
SCHEMBL7880987 0.81 KMT2A (0.41) ARFLT3MEN1KMT2A
SCHEMBL7873443 0.81 MTNR1A (0.31) TP53MAPTIDO1HRH4FLT3
SCHEMBL7885042 0.80 APEX1 (0.39) MAPTHRH4FLT3MEN1KMT2A

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