SCHEMBL7884580

SCHEMBL7884580

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3ccccc3N)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
FBP1 P09467 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KLF5 Q13887 2/20 0.32
RHEB Q15382 1/20 0.32
BRD4 O60885 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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 SCHEMBL7880004 0.99 ESRRA (0.36) ESRRACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7881844 0.88 RHEB (0.44) ESRRAKDM4EHPGDFBP1RHEB
SCHEMBL7879460 0.87 CYP3A4 (0.37) ESRRACYP3A4CYP2C19BRD4
SCHEMBL7884381 0.86 SLC9A1 (0.33) CYP1A2CYP3A4CYP2C19MAPTKDM4E
SCHEMBL7879818 0.85 LMNA (0.46) LMNAMAPTHPGDFBP1MEN1
SCHEMBL7877527 0.85 SLC9A1 (0.39) NPC1RAB9AMEN1KMT2AKLF5
Hydrochloric Acid SCHEMBL7878278 0.85 SLC9A1 (0.32) CYP1A2CYP3A4CYP2C19KDM4EHPGD
Hydrochloric Acid SCHEMBL7873614 0.85 LMNA (0.46) LMNAMAPTHPGDFBP1MEN1
SCHEMBL7877943 0.85 SLC6A4 (0.44)
SCHEMBL7873269 0.84 ESRRA (0.38) ESRRAKDM4EHPGDFBP1RHEB

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