SCHEMBL7873476

SCHEMBL7873476

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3cc([N+](=O)[O-])ccn3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 7/20 0.33
FBP1 P09467 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL7873261 0.88 MAPK8 (0.32) FBP1
SCHEMBL7881278 0.87 PTPN11 (0.34) TDP1KDM4EALOX12PKM
SCHEMBL7884525 0.85 APEX1 (0.35) TDP1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7884278 0.85 MEN1 (0.45) LMNATDP1MEN1KMT2APKM
SCHEMBL7873660 0.84 FBP1 (0.33) LMNATDP1MEN1KMT2APKM
SCHEMBL7884615 0.84 LOXL2 (0.38)
SCHEMBL7879452 0.84 MEN1 (0.46) LMNATDP1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7873254 0.84 MEN1 (0.45) LMNATDP1MEN1KMT2APKM
SCHEMBL7880209 0.84 AURKA (0.37) TDP1KDM4EALOX12MEN1KMT2A
SCHEMBL7881234 0.83 SIRT2 (0.38) LMNATDP1MEN1KMT2APKM

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