SCHEMBL7884282

SCHEMBL7884282

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3ccc([N+](=O)[O-])cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CHEK2 O96017 2/20 0.36
RHEB Q15382 1/20 0.36
HSPB1 P04792 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MYOC Q99972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
SCN4A P35499 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL7881113 0.90 F10 (0.38) MEN1KMT2ARHEBMAPTKDM4E
SCHEMBL7873257 0.89 ALDH1A1 (0.34) RHEBALDH1A1LMNA
SCHEMBL7877441 0.88 RHEB (0.39) CHEK2RHEBALDH1A1
SCHEMBL7881897 0.87 RHEB (0.40) MEN1KMT2ARHEBRXFP1
SCHEMBL7879746 0.86 RHEB (0.32) RHEBRAB9AALDH1A1
SCHEMBL7879699 0.86 MEN1 (0.41) MEN1KMT2ACHEK2RHEBGAA
SCHEMBL7873402 0.85 RHEB (0.34) CHEK2RHEB
SCHEMBL7873341 0.85 ST14 (0.39) MEN1KMT2ACHEK2RHEBRXFP1
SCHEMBL7881932 0.85 RHEB (0.36) RHEBRAB9AMAPTALDH1A1LMNA
SCHEMBL7873735 0.85 RHEB (0.36) CHEK2RHEB

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