SCHEMBL7882013

SCHEMBL7882013

CNC(N)=NC(=O)c1cc2cccc(Oc3cncc(CN4CCCC4)c3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
PARP1 P09874 1/20 0.39
DHODH Q02127 1/20 0.39
IDO1 P14902 1/20 0.38
KMT2A Q03164 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
DYRK1A Q13627 5/20 0.35
WNT1 P04628 3/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CCR8 P51685 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL7877798 0.90 CCR8 (0.43) KMT2ACCR8
SCHEMBL7873777 0.89 CCR8 (0.42) CCR8
SCHEMBL7877534 0.89 MMP1 (0.39) PARP1DRD2DRD3HRH4
SCHEMBL7877512 0.88 HRH3 (0.39) PARP1DRD2DRD3
SCHEMBL7877802 0.86 DYRK1A (0.35) SLC6A4PARP1DHODHDYRK1AWNT1
SCHEMBL7873742 0.85 DYRK1A (0.35) SLC6A4DYRK1AWNT1CLK2CLK3
SCHEMBL7879711 0.85 IDO1 (0.40) SLC6A4PARP1IDO1SIRT2SIRT1
SCHEMBL7877493 0.84 SLC2A1 (0.36) SLC6A4PARP1IDO1DRD2DRD3
SCHEMBL7879623 0.84 SLC6A4 (0.40) SLC6A4IDO1DRD2DRD3HRH4
SCHEMBL7880840 0.84 IDO1 (0.39) IDO1SIRT2SIRT1SIRT3DYRK1A

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