SCHEMBL7873317

SCHEMBL7873317

NC(=NC(=O)c1cc2ccccc2[nH]1)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 1/20 0.40

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
Hydrochloric Acid SCHEMBL7873559 0.99 HDAC2 (0.44) HDAC2PDGFRBPDGFRAALDH1A1POLB
SCHEMBL7873571 0.87 IDO1 (0.52) HDAC2ALDH1A1KDM4EGAAMAPK1
SCHEMBL8627251 0.86 HDAC2 (0.51) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL8688400 0.86 IDO1 (0.51) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL7877807 0.86 IDO1 (0.51) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL7882311 0.85 HDAC2 (0.50) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL7882115 0.84 HDAC2 (0.47) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL7881250 0.83 KDM4E (0.47) HDAC2ALDH1A1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL7880917 0.81 MEN1 (0.55) HDAC2PDGFRBPDGFRAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8689713 0.80 KDM4E (0.44) HDAC2ALDH1A1KDM4EGAAMAPK1

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 9 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-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP 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
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed