SCHEMBL7879699

SCHEMBL7879699

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
CHEK2 O96017 2/20 0.40
ALDH1A1 P00352 3/20 0.38
RHEB Q15382 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MYOC Q99972 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE7A Q13946 1/20 0.35
FAAH O00519 1/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL7884778 0.90 F10 (0.38) MEN1KMT2ALGALS8LGALS3ALDH1A1
SCHEMBL7878230 0.88 SIRT2 (0.34) MEN1KMT2ALGALS8LGALS3CHEK2
SCHEMBL7884372 0.87 RHEB (0.39) MEN1KMT2ACHEK2ALDH1A1RHEB
Hydrochloric Acid SCHEMBL7884300 0.86 RHEB (0.38) MEN1KMT2ACHEK2ALDH1A1RHEB
SCHEMBL7884282 0.86 MEN1 (0.39) MEN1KMT2ALGALS8LGALS3CHEK2
SCHEMBL7879889 0.86 RHEB (0.50) MEN1KMT2ARHEB
SCHEMBL7881811 0.86 LMNA (0.31) MEN1KMT2ALGALS8LGALS3CHEK2
SCHEMBL7878080 0.84 RHEB (0.31) LGALS8LGALS3CHEK2ALDH1A1RHEB
SCHEMBL7879405 0.84 ST14 (0.41) MEN1KMT2ACHEK2RHEB
SCHEMBL7879416 0.84 MAPT (0.39) CHEK2ALDH1A1RHEBGAAMAPT

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