SCHEMBL7879972

SCHEMBL7879972

CCN(CC)Cc1ccnc(Oc2cc(C(F)(F)F)c3cc(C(=O)N=C(N)NC)[nH]c3c2)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.31
LOX P28300 8/20 0.31
MAPK8 P45983 2/20 0.31
MAPK10 P53779 2/20 0.31
RHEB Q15382 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
PTGS2 P35354 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
SCHEMBL7881238 0.92 KDR (0.33) LOXL2LOXMAPK8MAPK10RHEB
SCHEMBL7882284 0.89 LOXL2 (0.32) LOXL2LOX
SCHEMBL7879952 0.87 RHEB (0.35) RHEBRAF1BRAF
SCHEMBL7877875 0.86 RHEB (0.34) RHEBRAF1BRAF
SCHEMBL7873654 0.86 RHEB (0.35) MAPK8MAPK10RHEBRAF1BRAF
SCHEMBL7873681 0.85 KMT2A (0.35) LOXL2LOX
SCHEMBL7877896 0.84 TLR7 (0.35) MAPK8MAPK10RAF1BRAF
SCHEMBL7882185 0.84 HRH3 (0.41) RHEB
SCHEMBL7879968 0.84 RHEB (0.31) LOXL2LOXRHEB
SCHEMBL7881828 0.84 CLK1 (0.31) MAPK8MAPK10

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