SCHEMBL7882124

SCHEMBL7882124

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccncc3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.35
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
SCN9A Q15858 1/20 0.34
RHEB Q15382 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
FFAR1 O14842 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL7882372 0.90 FFAR1 (0.39) BRAFRHEBFFAR1KDM4EHPGD
SCHEMBL7880919 0.89 FFAR1 (0.36) BRAFICAM1SELESCN9ARHEB
SCHEMBL7877765 0.89 BRAF (0.37) BRAFRHEB
SCHEMBL7884681 0.89 SMN1; SMN2 (0.43) BRAFICAM1SELESCN9AGPBAR1
Hydrochloric Acid SCHEMBL7881490 0.88 FFAR1 (0.36) BRAFICAM1SELESCN9ARHEB
SCHEMBL7881031 0.87 RHEB (0.34) BRAFICAM1SELERHEBGPBAR1
SCHEMBL7881879 0.87 ICAM1 (0.32) BRAFICAM1SELERHEBFFAR1
SCHEMBL7880729 0.87 FFAR1 (0.35) BRAFSCN9ARHEBFFAR1SLC6A2
SCHEMBL7878053 0.86 SLC6A4 (0.40) BRAFSCN9ARHEBFFAR1SLC6A2
SCHEMBL7881800 0.86 BRAF (0.37) BRAFSCN9ASLC6A2SLC6A4

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