SCHEMBL7882201

SCHEMBL7882201

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccccc3CN)c2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
MAOA P21397 1/20 0.32
CHIT1 Q13231 1/20 0.32
EPHX2 P34913 2/20 0.32
CRHR1 P34998 1/20 0.32
SLC9A1 P19634 2/20 0.32
HTR7 P34969 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AR P10275 1/20 0.31
FFAR1 O14842 2/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ATM Q13315 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
PLA2G7 Q13093 1/20 0.30
SCN9A Q15858 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
SCHEMBL7882316 0.90 SLC6A4 (0.39) SLC6A4ATMSCN9A
SCHEMBL7882059 0.89 SCN9A (0.36) HTR7SCN9A
SCHEMBL7881181 0.88 FFAR1 (0.38) ABL1SRCMAOACHIT1EPHX2
SCHEMBL7884381 0.88 SLC9A1 (0.33) SLC9A1FFAR1MAPK8MAPK10
SCHEMBL7877852 0.87 MEN1 (0.38) SLC6A4HRH3ATMSCN9A
Hydrochloric Acid SCHEMBL7878278 0.87 SLC9A1 (0.32) SLC9A1MAPK8MAPK10
SCHEMBL7879460 0.87 CYP3A4 (0.37) HTR7SLC6A4
SCHEMBL7873852 0.86 MEN1 (0.39) SLC6A4HRH3ATMSCN9A
SCHEMBL7882375 0.85 FFAR1 (0.39) SLC9A1FFAR1
SCHEMBL7881089 0.84 SLC9A1 (0.39) SLC9A1PLA2G7

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