SCHEMBL7882181

SCHEMBL7882181

CN(C)Cc1cccc(Oc2cc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
F2 P00734 1/20 0.39
F3 P13726 1/20 0.35
RHEB Q15382 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD17B2 P37059 2/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
PARP1 P09874 1/20 0.33
MAP2K5 Q13163 1/20 0.32
MAPK7 Q13164 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL7877872 0.92 MEN1 (0.34) F10F2RHEBMEN1KMT2A
SCHEMBL7877890 0.92 F10 (0.36) F10F2RHEBMEN1KMT2A
SCHEMBL7881487 0.90 RHEB (0.36) RHEBMEN1KMT2ARXFP1ROCK2
SCHEMBL7881394 0.89 MAOB (0.37) F2MEN1KMT2ARXFP1
SCHEMBL7882095 0.87 RHEB (0.37) F10F2RHEB
SCHEMBL7881897 0.87 RHEB (0.40) RHEBMEN1KMT2ARXFP1
SCHEMBL7884760 0.87 RHEB (0.33) RHEBMEN1KMT2ARXFP1
SCHEMBL7879808 0.87 SCN9A (0.40) MEN1KMT2AROCK2
SCHEMBL7881478 0.86 PPARG (0.40) F10F2RHEBMEN1KMT2A
SCHEMBL7878045 0.86 SCN9A (0.39) MEN1KMT2A

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