SCHEMBL7880904

SCHEMBL7880904

CNC(N)=NC(=O)c1cc2cccc(OCc3ccc(CN)s3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HRH4 Q9H3N8 4/20 0.33
IDO1 P14902 1/20 0.33
LOX P28300 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
XIAP P98170 1/20 0.31
SMYD3 Q9H7B4 2/20 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
SCHEMBL7879982 0.90 FLT3 (0.33) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7880167 0.87 MTNR1A (0.33) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7877638 0.87 CFD (0.43) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7873721 0.86 ALDH1A1 (0.39) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7873285 0.85 MAPT (0.39) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7884787 0.85 MEN1 (0.39) FLT3MTNR1AMTNR1BHRH4IDO1
SCHEMBL7881268 0.84 MRGPRX4 (0.37) LOX
SCHEMBL7880755 0.83 MRGPRX4 (0.34) SLC9A1
Hydrochloric Acid SCHEMBL7877865 0.82 SRD5A2 (0.44) IDO1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL7882211 0.81 HTR1B (0.40) FLT3MTNR1AMTNR1BHRH4IDO1

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