SCHEMBL7873534

SCHEMBL7873534

CN(C(=N)N)C(=O)c1cc2cccc(Oc3ccc(CN)o3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
HRH4 Q9H3N8 3/20 0.34
FLT3 P36888 1/20 0.34
IDO1 P14902 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL7880785 0.91 AR (0.41) ARHRH4FLT3IDO1TP53
SCHEMBL7881311 0.89 AR (0.39) ARHRH4FLT3IDO1TP53
SCHEMBL7873278 0.87 MEN1 (0.39) ARHRH4FLT3IDO1TP53
SCHEMBL7873968 0.83 KDM4E (0.31) IDO1
SCHEMBL7880162 0.83 HRH4 (0.33) ARHRH4FLT3IDO1TP53
SCHEMBL7881986 0.83 TP53 (0.36) HRH4FLT3IDO1TP53MAPT
SCHEMBL7873962 0.83 ST14 (0.38) HRH4FLT3IDO1TP53MAPT
SCHEMBL7882045 0.81 F10 (0.41) HRH4FLT3IDO1TP53MAPT
SCHEMBL7873245 0.81
SCHEMBL7878082 0.80 BRD4 (0.39) HRH4FLT3TP53MAPT

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