SCHEMBL7873374

SCHEMBL7873374

CN(C(=N)N)C(=O)c1cc2cccc(Oc3ccccc3N)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HRH4 Q9H3N8 3/20 0.38
FLT3 P36888 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 1/20 0.35
GAA P10253 2/20 0.35
RCE1 Q9Y256 1/20 0.35
BRD4 O60885 1/20 0.34
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
NSD2 O96028 1/20 0.33
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL7878079 0.99 HDAC3 (0.38) HDAC3HDAC1HRH4FLT3TP53
SCHEMBL7881419 0.95 HDAC3 (0.40) HDAC3HDAC1HRH4FLT3TP53
SCHEMBL7878082 0.88 BRD4 (0.39) HRH4FLT3TP53MAPTALDH1A1
SCHEMBL7881986 0.86 TP53 (0.36) HDAC3HDAC1HRH4FLT3TP53
SCHEMBL7881936 0.86 HRH4 (0.50) HDAC3HDAC1HRH4TP53MAPT
SCHEMBL7884333 0.86 HRH4 (0.36) HDAC3HDAC1HRH4FLT3TP53
SCHEMBL7878085 0.85 SLC6A4 (0.43)
SCHEMBL7873932 0.85 HRH4 (0.51) HDAC3HDAC1HRH4FLT3TP53
SCHEMBL7881903 0.85 F10 (0.37) HRH4FLT3TP53MAPTIDO1
Hydrochloric Acid SCHEMBL7880727 0.85 HRH4 (0.36) HDAC3HDAC1HRH4FLT3TP53

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