SCHEMBL7873378

SCHEMBL7873378

CNC(N)=NC(=O)c1cc2cccc(Oc3ccccc3N)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HRH4 Q9H3N8 5/20 0.38
FLT3 P36888 2/20 0.36
NSD2 O96028 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34

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 SCHEMBL7878081 0.99 HDAC3 (0.40) HDAC3HDAC1HRH4FLT3NSD2
SCHEMBL7881423 0.96 HDAC3 (0.40) HDAC3HDAC1HRH4FLT3PYGL
SCHEMBL7878084 0.88 BRD4 (0.39) HRH4FLT3NSD2MTNR1AMTNR1B
SCHEMBL7881991 0.86 MTNR1A (0.35) HDAC3HDAC1HRH4FLT3NSD2
SCHEMBL7881937 0.86 HRH4 (0.49) HDAC3HDAC1HRH4NSD2PYGL
SCHEMBL7884340 0.86 HRH4 (0.36) HDAC3HDAC1HRH4FLT3NSD2
SCHEMBL7873936 0.85 HRH4 (0.50) HDAC3HDAC1HRH4FLT3MTNR1A
SCHEMBL7881906 0.85 CARM1 (0.36) HDAC3HDAC1HRH4FLT3MTNR1A
Hydrochloric Acid SCHEMBL7880730 0.85 HRH4 (0.35) HDAC3HDAC1HRH4FLT3NSD2
Hydrochloric Acid SCHEMBL7885045 0.85 HRH4 (0.48) HDAC3HDAC1HRH4NSD2PYGL

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