SCHEMBL7879690

SCHEMBL7879690

CN(C(=N)N)C(=O)c1cc2cccc(Oc3cncc(CN)c3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
SIRT2 Q8IXJ6 5/20 0.40
SIRT1 Q96EB6 5/20 0.40
SIRT3 Q9NTG7 5/20 0.40
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
FLT3 P36888 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
F10 P00742 2/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
PLAU P00749 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL7879704 0.92 IDO1 (0.41) IDO1SIRT2SIRT1SIRT3TP53
SCHEMBL7880829 0.89 IDO1 (0.40) IDO1SIRT2SIRT1SIRT3TP53
SCHEMBL7882045 0.89 F10 (0.41) IDO1TP53MAPTLMNATHRB
SCHEMBL7873962 0.88 ST14 (0.38) IDO1TP53MAPTHRH4FLT3
SCHEMBL7877539 0.88 SIRT2 (0.42) IDO1SIRT2SIRT1SIRT3TP53
SCHEMBL7882004 0.87 PARP1 (0.39) IDO1SIRT2SIRT1SIRT3HRH4
SCHEMBL7879419 0.85 IDO1 (0.47) IDO1SIRT2SIRT1SIRT3TP53
SCHEMBL7881924 0.84 HTR2A (0.33) SIRT2SIRT1SIRT3PRMT5WDR77
SCHEMBL7882084 0.84 SIRT2 (0.39) IDO1SIRT2SIRT1SIRT3MAPT
SCHEMBL7881241 0.83 IDO1 (0.40) IDO1SIRT2SIRT1SIRT3TP53

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