SCHEMBL7879700

SCHEMBL7879700

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccc([N+](=O)[O-])cc3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.42
LGALS3 P17931 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CHEK2 O96017 2/20 0.40
GAA P10253 3/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
F13A1 P00488 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MYOC Q99972 1/20 0.37
RHEB Q15382 1/20 0.36
FFAR1 O14842 1/20 0.35
PDE7A Q13946 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7884783 0.90 KMT2A (0.40) LGALS8LGALS3MEN1KMT2AGAA
SCHEMBL7878234 0.88 SIRT2 (0.35) LGALS8LGALS3MEN1KMT2ACHEK2
SCHEMBL7884376 0.87 RHEB (0.39) CHEK2GAAMAPTNPSR1F13A1
SCHEMBL7884287 0.87 MEN1 (0.40) LGALS8LGALS3MEN1KMT2ACHEK2
Hydrochloric Acid SCHEMBL7884305 0.86 RHEB (0.38) CHEK2GAAMAPTNPSR1F13A1
SCHEMBL7879891 0.86 RHEB (0.50) LGALS8LGALS3KMT2ACHEK2RHEB
SCHEMBL7881815 0.86 LGALS8 (0.33) LGALS8LGALS3MEN1KMT2AGAA
SCHEMBL7881047 0.85 LGALS8 (0.42) LGALS8LGALS3MEN1KMT2ACHEK2
SCHEMBL7878083 0.84 RAF1 (0.34) LGALS8LGALS3MEN1KMT2ACHEK2
SCHEMBL7879412 0.84 RHEB (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed