SCHEMBL7882129

SCHEMBL7882129

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.37
SELE P16581 4/20 0.37
BRAF P15056 10/20 0.34
VCAM1 P19320 1/20 0.33
SCN9A Q15858 1/20 0.33
RHEB Q15382 1/20 0.32
FFAR1 O14842 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNNI3K Q59H18 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7882375 0.90 FFAR1 (0.39) RHEBFFAR1KDM4E
SCHEMBL7880924 0.89 FFAR1 (0.36) ICAM1SELEBRAFVCAM1RHEB
SCHEMBL7884689 0.89 SMN1; SMN2 (0.43) BRAFKDM4ESMN1; SMN2
SCHEMBL7877775 0.89 MET (0.37) BRAFKDR
Hydrochloric Acid SCHEMBL7881497 0.88 FFAR1 (0.36) ICAM1SELEBRAFVCAM1RHEB
SCHEMBL7881882 0.87 ICAM1 (0.35) ICAM1SELEBRAFVCAM1RHEB
SCHEMBL7880732 0.87 FFAR1 (0.35) ICAM1SELEBRAFSCN9ARHEB
SCHEMBL7881036 0.86 ESRRA (0.35) ICAM1SELEBRAFVCAM1RHEB
SCHEMBL7877749 0.85 MEN1 (0.38) KDRMAPT
SCHEMBL7882210 0.85 BRAF (0.33) BRAFKDR

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