SCHEMBL7873840

SCHEMBL7873840

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3cncc(N)c3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 5/20 0.32
SELE P16581 5/20 0.32
RAF1 P04049 1/20 0.32
PPARG P37231 1/20 0.32
VCAM1 P19320 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ESRRA P11474 1/20 0.31
PDE4D Q08499 1/20 0.31
SLC9A1 P19634 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7881933 0.88 PRMT5 (0.34) ICAM1SELERAF1PPARGVCAM1
SCHEMBL7873269 0.87 ESRRA (0.38) ICAM1SELERAF1VCAM1ESRRA
SCHEMBL7881882 0.87 ICAM1 (0.35) ICAM1SELERAF1VCAM1CCNC
SCHEMBL7879859 0.87 SMN1; SMN2 (0.38) KDM4E
SCHEMBL7881234 0.87 SIRT2 (0.38) ICAM1SELEPPARGSIRT2SIRT1
SCHEMBL7884847 0.87 RHEB (0.35) CCNCCDK8ESRRAHTR2ASLC6A4
Hydrochloric Acid SCHEMBL7873744 0.86 ESRRA (0.37) ICAM1SELERAF1VCAM1ESRRA
SCHEMBL7881036 0.86 ESRRA (0.35) ICAM1SELERAF1VCAM1CCNC
SCHEMBL7882394 0.86 SLC6A4 (0.38) ICAM1SELERAF1VCAM1CCNC
Hydrochloric Acid SCHEMBL7877482 0.86 RHEB (0.34) CCNCCDK8ESRRAHTR2ASLC6A4

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