SCHEMBL7880740

SCHEMBL7880740

CN(C)CCCOc1cc(C(F)(F)F)c2cc(C(=O)N(C)C(=N)N)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MAOA P21397 2/20 0.37
CHEK2 O96017 2/20 0.36
PARP1 P09874 1/20 0.34
FLT3 P36888 1/20 0.33
RHEB Q15382 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NEK2 P51955 1/20 0.32
PLK1 P53350 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TNF P01375 1/20 0.32
IL6 P05231 1/20 0.32
PDK2 Q15119 1/20 0.31
CHEK1 O14757 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
Hydrochloric Acid SCHEMBL7881916 0.99 PDGFRB (0.38) PDGFRBPDGFRATHRATHRBMAOA
Hydrochloric Acid SCHEMBL8629165 0.99 PDGFRB (0.38) PDGFRBPDGFRATHRATHRBMAOA
SCHEMBL7879475 0.95 FLT3 (0.38) PDGFRBPDGFRATHRATHRBMAOA
Hydrochloric Acid SCHEMBL7878224 0.94 FLT3 (0.37) PDGFRBPDGFRATHRATHRBMAOA
SCHEMBL7879900 0.92 MAOB (0.34) PDGFRBPDGFRATHRATHRBRHEB
SCHEMBL7884534 0.91 RHEB (0.33) THRATHRBRHEBAURKARPS6KB1
Hydrochloric Acid SCHEMBL8631563 0.90 RHEB (0.32) THRATHRBRHEBAURKARPS6KB1
Hydrochloric Acid SCHEMBL7873342 0.90 RHEB (0.32) THRATHRBRHEBAURKARPS6KB1
SCHEMBL7884785 0.90 RHEB (0.33) THRATHRBRHEB
Hydrochloric Acid SCHEMBL7873418 0.89 RHEB (0.33) THRATHRBRHEB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP claimed
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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed