SCHEMBL7879425

SCHEMBL7879425

CNC(N)=NC(=O)c1cc2cccc(Oc3cccnc3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 2/20 0.38
SYK P43405 1/20 0.36
BTK Q06187 1/20 0.36
CHEK2 O96017 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL7881245 0.89 IDO1 (0.39) IDO1DRD2DRD3SIRT2SIRT1
SCHEMBL7878084 0.88 BRD4 (0.39) ALDH1A1
SCHEMBL7877543 0.87 SIRT2 (0.41) IDO1SIRT2SIRT1SIRT3
SCHEMBL7881906 0.85 CARM1 (0.36) IDO1
SCHEMBL7879859 0.85 SMN1; SMN2 (0.38) DRD2DRD3SMN1; SMN2ALDH1A1GRM5
SCHEMBL7884340 0.84 HRH4 (0.36) IDO1DRD2DRD3
SCHEMBL7879829 0.83 MET (0.37) IDO1SYK
SCHEMBL7882088 0.83 SIRT2 (0.42) IDO1SMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL7884689 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MAP2K1ALDH1A1
Hydrochloric Acid SCHEMBL7880730 0.83 HRH4 (0.35) IDO1DRD2DRD3

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