SCHEMBL7873263

SCHEMBL7873263

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3ccc(N)cc3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
PDE7A Q13946 2/20 0.36
RHEB Q15382 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ESRRA P11474 1/20 0.34
BRD4 O60885 3/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
FBP1 P09467 1/20 0.33
ICAM1 P05362 2/20 0.32
SELE P16581 2/20 0.32
VCAM1 P19320 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PARP10 Q53GL7 1/20 0.32
BRAF P15056 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 SCHEMBL7873741 0.99 HTR2A (0.36) HTR2ASLC6A4PDE7ARHEBF2
SCHEMBL7881859 0.91 RHEB (0.34) HTR2ASLC6A4RHEBF2F10
SCHEMBL7881841 0.90 RHEB (0.45) RHEBESRRABRD4KDM4EHPGD
Hydrochloric Acid SCHEMBL7880773 0.90 HTR2A (0.34) HTR2ASLC6A4RHEBF2F10
SCHEMBL7880166 0.89 HTR2A (0.39) HTR2ASLC6A4RHEBF2F10
SCHEMBL7884844 0.89 RHEB (0.35) HTR2ASLC6A4RHEBF2F10
SCHEMBL7881031 0.88 RHEB (0.34) HTR2ASLC6A4RHEBF2F10
Hydrochloric Acid SCHEMBL7881280 0.88 BRD4 (0.35) RHEBBRD4KDM4EHPGDICAM1
SCHEMBL7882020 0.88 SLC6A4 (0.45) HTR2ASLC6A4RHEBFFAR1
Hydrochloric Acid SCHEMBL7873468 0.88 HTR2A (0.39) HTR2ASLC6A4RHEBF2F10

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