SCHEMBL7878083

SCHEMBL7878083

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccnc([N+](=O)[O-])c3)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.34
BRAF P15056 11/20 0.34
KDR P35968 3/20 0.34
LGALS8 O00214 1/20 0.33
LGALS3 P17931 1/20 0.33
RHEB Q15382 2/20 0.31
CHEK2 O96017 3/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
DYRK1A Q13627 1/20 0.30
MEN1 O00255 1/20 0.30
PLK4 O00444 1/20 0.30
CIT O14578 1/20 0.30
AURKA O14965 1/20 0.30
MUSK O15146 1/20 0.30
EPHB6 O15197 1/20 0.30
MAPK13 O15264 1/20 0.30
MLNR O43193 1/20 0.30
MAP3K7 O43318 1/20 0.30
RIPK2 O43353 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
SCHEMBL7873405 0.88 RAF1 (0.38) RAF1BRAFKDRRHEBCHEK2
SCHEMBL7873786 0.86 RAF1 (0.37) RAF1BRAFKDRLGALS8LGALS3
SCHEMBL7877940 0.86 MAPK14 (0.39) RAF1BRAFKDRLGALS8RHEB
SCHEMBL7881815 0.85 LGALS8 (0.33) LGALS8LGALS3MEN1EGFRERBB2
SCHEMBL7879700 0.84 LGALS8 (0.42) LGALS8LGALS3RHEBCHEK2MEN1
SCHEMBL7873187 0.84 RHEB (0.38) RAF1BRAFKDRRHEBCHEK2
SCHEMBL7884783 0.84 KMT2A (0.40) LGALS8LGALS3RHEBMEN1KMT2A
SCHEMBL7873660 0.83 FBP1 (0.33) RAF1BRAFKDRCHEK2MEN1
SCHEMBL7878234 0.82 SIRT2 (0.35) LGALS8LGALS3RHEBCHEK2MEN1
SCHEMBL7873376 0.82 P2RX3 (0.34) RAF1BRAFKDRRHEBHTR2A

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