SCHEMBL7879751

SCHEMBL7879751

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3cc([N+](=O)[O-])ccn3)cc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.32
RAB9A P51151 1/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
ERBB2 P04626 1/20 0.31
PTK6 Q13882 1/20 0.31
CHIT1 Q13231 1/20 0.31
KDR P35968 1/20 0.30
FPR2 P25090 1/20 0.30
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR35 Q9HC97 1/20 0.30
KIF11 P52732 1/20 0.30
MAPK10 P53779 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
SCHEMBL7881815 0.88 LGALS8 (0.33) RAB9AERBB2PTK6MEN1KMT2A
SCHEMBL7873654 0.88 RHEB (0.35) RHEBRAF1BRAFKDRFPR2
SCHEMBL7884287 0.86 MEN1 (0.40) RHEBRAB9ARAF1BRAFCHIT1
SCHEMBL7873405 0.86 RAF1 (0.38) RHEBRAF1BRAFERBB2KDR
SCHEMBL7881116 0.85 CYP2C9 (0.39) RHEBCHIT1MEN1KMT2A
SCHEMBL7877951 0.84 HRH4 (0.37) RAB9AERBB2PTK6MEN1KMT2A
SCHEMBL7882156 0.84 RAF1 (0.35) RHEBRAF1BRAFMAPK10
SCHEMBL7873260 0.84 SIRT2 (0.34) RHEBRAF1
SCHEMBL7873261 0.83 MAPK8 (0.32) BRAFERBB2PTK6CHIT1KDR
SCHEMBL7879746 0.83 RHEB (0.32) RHEBRAB9A

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